Home Cart 0 Sign in  

[ CAS No. 1007882-23-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1007882-23-6
Chemical Structure| 1007882-23-6
Structure of 1007882-23-6 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1007882-23-6 ]

Related Doc. of [ 1007882-23-6 ]

Alternatived Products of [ 1007882-23-6 ]

Product Details of [ 1007882-23-6 ]

CAS No. :1007882-23-6 MDL No. :MFCD28404669
Formula : C36H44N6O4 Boiling Point : -
Linear Structure Formula :- InChI Key :WPMTYMFNINZZHE-KYJUHHDHSA-N
M.W : 624.77 Pubchem ID :24898407
Synonyms :
Chemical Name :BIs(2-methyl-2-propanyl) (2S,2'S)-2,2'-[4,4'-biphenyldiylbis(1H-imidazole-4,2-diyl)]di(1-pyrrolidinecarboxylate)

Calculated chemistry of [ 1007882-23-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 46
Num. arom. heavy atoms : 22
Fraction Csp3 : 0.44
Num. rotatable bonds : 11
Num. H-bond acceptors : 6.0
Num. H-bond donors : 2.0
Molar Refractivity : 186.7
TPSA : 116.44 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.11 cm/s

Lipophilicity

Log Po/w (iLOGP) : 5.21
Log Po/w (XLOGP3) : 5.64
Log Po/w (WLOGP) : 6.87
Log Po/w (MLOGP) : 2.86
Log Po/w (SILICOS-IT) : 6.02
Consensus Log Po/w : 5.32

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -6.89
Solubility : 0.0000796 mg/ml ; 0.000000127 mol/l
Class : Poorly soluble
Log S (Ali) : -7.85
Solubility : 0.00000884 mg/ml ; 0.0000000142 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -9.52
Solubility : 0.00000019 mg/ml ; 0.0000000003 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 5.48

Safety of [ 1007882-23-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1007882-23-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 1007882-23-6 ]
  • Downstream synthetic route of [ 1007882-23-6 ]

[ 1007882-23-6 ] Synthesis Path-Upstream   1~8

  • 1
  • [ 1009119-82-7 ]
  • [ 1007882-23-6 ]
YieldReaction ConditionsOperation in experiment
85% With ammonium acetate In toluene at 130℃; for 15 h; A mixture of 3 (2 g, 3.01 mmol) and NH4OAc (4.65 g, 60.3 mmol) in methylbenzene (30 mL) was heated at 130 °C for 15 h. The volatile component was removed in vacuo, and the residue was partitioned between CH2Cl2 and H2O, where enough satd. aq NaHCO3 solution was added to neutralize the aqueous medium. The aqueous phase was extracted with CH2Cl2, and the combined organic phase was dried (MgSO4), filtered, and concentrated in vacuo. The residue was puried by flash chromatography (silica gel; 50percent EtOAc/hexanes) to afford 4 as white solid (1.6 g, 85 percent).
63%
Stage #1: With ammonium acetate In toluene at 95 - 100℃; for 15 h;
Stage #2: With acetic acid In water; toluene; butan-1-ol at 50 - 80℃;
Preparation of Compound (6); The toluene solution of Compound 5 was charged with 78 g (1.011 moles, 20 equiv) ammonium acetate and heated to 95-100° C. The mixture was allowed to stir at 95-100° C. for 15 hours. After reaction completion, the mixture was cooled to 70-80° C. and charged with 7 mL acetic acid, 40 mL n-butanol, and 80 mL of 5 vol percent aqueous acetic acid. The resulting biphasic solution was split while maintaining a temperature >50° C. The rich organic phase was charged with 80 mL of 5 vol percent aqueous acetic acid, 30 mL acetic acid and 20 mL n-butanol while maintaining a temperature >50° C. The resulting biphasic solution was split while maintaining a temperature >50° C. and the rich organic phase was washed with an additional 80 mL of 5 vol percent aqueous acetic acid. The rich organic phase was then solvent exchanged into toluene to a target volume of 215 mL by vacuum distillation. While maintaining a temperature >60° C., 64 mL methanol was charged. The resulting slurry was heated to 70-75° C. and aged for 1 hour. The slurry was cooled to 20-25° C. over 1 hour and aged at that temperature for an additional hour. The slurry was filtered and the cake was washed with 200 mL 10:3 toluene:methanol. The product was dried under vacuum at 70° C., resulting in 19.8 g (31.7 mmol, 63percent) of the desired product: 1H NMR (400 MHz, DMSO-d6) δ 13.00-11.00 (s, 2H), 7.90-7.75 (m, 4H), 7.75-7.60 (m, 4H), 7.60-7.30 (s, 2H), 4.92-4.72 (m, 2H), 3.65-3.49 (m, 2H), 3.49-3.28 (m, 2H), 2.39-2.1 (m, 2H), 2.10-1.87 (m, 6H), 1.60-1.33 (s, 8H), 1.33-1.07 (s, 10H); 13 C NMR (100 MHz, DMSO-d6) δ 154.1, 153.8, 137.5, 126.6, 125.0, 78.9, 78.5, 55.6, 55.0, 47.0, 46.7, 33.7, 32.2, 28.5, 28.2, 24.2, 23.5; IR (KBr, cm-1) 2975, 2876, 1663, 1407, 1156, 1125; HRMS calcd for C36H45N6O4 (M+H; ESI+): 625.3502. Found: 625.3502. mp 190-195° C. (decomposed).
63% With ammonium acetate In toluene at 95 - 100℃; for 15 h; The above toluene solution of Example CQ-Ib was charged with 78 g (1.011 moles, 20 equiv) ammonium acetate and heated to 95-100 0C. The mixture was allowed to stir at 95-100 0C for 15h. After reaction completion, the mixture was cooled to 70-80 0C and charged with 7 mL acetic acid, 40 mL n-butanol, and 80 mL of 5 vol percent aqueous acetic acid. The resulting biphasic solution was split while maintaining a temperature >; 50 0C. The rich organic phase was charged with 80 mL of 5 vol percent aqueous acetic acid, 30 mL acetic acid and 20 mL n-butanol while maintaining a temperature >; 50 °C. The resulting biphasic solution was split while maintaining a temperature >; 50 0C and the rich organic phase was washed with an additional 80 mL of 5 vol percent aqueous acetic acid. The rich organic phase was then solvent exchanged into toluene to a target volume of 215 mL by vacuum distillation. While maintaining a temperature >; 60 0C, 64 mL MeOH was charged. The resulting slurry was heated to 70-75 0C and aged for Ih. The slurry was cooled to 20-25 0C over Ih and aged at that temperature for an additional hour. The slurry was filtered and the cake was washed with 200 mL 10:3 toiuene:MeOH. The product was dried under vacuum at 70 0C, resulting in 19.8 g (31.7 mmol, 63percent) of the desired product: 1H NMR (400 MHz, OMSO-d6) δ 13.0041.00 (s, 2H), 7.90-7.75 (m, 4H), 7.75-7.60 (m, 4H), 7.60-7.30 (s, 2H), 4.92-4.72 (m, 2H), 3.65-3.49 (m, 2H), 3.49-3.28 (m, 2H), 2.39-2.1 (m, 2H), 2.10-1.87 (m, 6H)1 1.60-1.33 (s, 8H), 1.33-1.07 (s, 10H); 13c NMR (100 MHz, OMSO-d6) 5 154.1, 153.8, 137.5, 126.6, 125.0, 78.9, 78.5, 55.6, 55.0, 47.0, 46.7, 33.7, 32.2, 28.5, 28.2, 24.2, 23.5; IR (KBr, cm-1) 2975, 2876, 1663, 1407, 1156, 1125; HRMS calcd for C36H45N6O4 (M + H; ESI+): 625.3502. Found: 625.3502. mp 190-195 0C (decomposed).
63% With ammonium acetate In toluene at 95 - 100℃; for 15 h; To the toluene solution of compound 3 was added 78 g (1.011 mole, 20 eq.) Of ammonium acetate and heated to 95-100 . The mixture was stirred at 95-100 & lt; 0 & gt; C for 15 h. After completion of the reaction, the mixture was cooled to 70-80 , and 7 mL acetic acid, 40 mL n-butanol, and 80 mL of 5 vol percent aqueous acetic acid were added. The resulting biphasic solution was separated while maintaining the temperature above 50 & lt; 0 & gt; C. 80 mL of 5 vol percent aqueous acetic acid, 30 mL acetic acid and 20 mL n-butanol were added to the rich organic phase while maintaining the temperature above 50 & lt; 0 & gt; C. The resulting biphasic solution was separated while maintaining the temperature above 50 & lt; 0 & gt; C, The rich organic phase was washed with an additional 80 mL of 5 vol percent aqueous acetic acid. The rich organic phase was then solvent exchanged to toluene with a target volume of 215 mL by vacuum distillation. 64 mL of methanol was added while maintaining the temperature above 60 & lt; 0 & gt; C. The resulting slurry was heated to 70-75 & lt; 0 & gt; C and aged for 1 hour. The slurry was cooled to 20-25 [deg.] C over 1 hour and aged at this temperature for an additional hour. The slurry was filtered and the cake was washed with 200 mL 10: 3 toluene: methanol. The product was dried under vacuum at 70 & lt; 0 & gt; C to give 19.8 g (31.7 mmol, 63percent) of the desired product:
63.5% With ammonium acetate In toluene at 95 - 100℃; for 15 h; Large scale To a solution of dakatatvein IV (8.5 kg) in toluene (45.5 kg) (51 liters), ammonium acetate (14.59 kg) was added and the temperature was raised to 95 to 100 ° C. After stirring for 15 hours, the temperature was lowered to 20-25 ° C, 1.75 Kg of glacial acetic acid, 8.14 Kg of n-butanol and 20.1 Kg of 13percent by mass sodium chloride aqueous solution (The mass percentage refers to the percentage of the mass of sodium chloride as a percentage of the total mass of sodium chloride aqueous solution) to form a mixed solution, and the mixture is stirred and left to stand for delamination. The organic phase was further added with 20.1 Kg of 13percent by mass sodium chloride aqueous solution (Said mass percentage refers to the percentage of the mass of sodium chloride as a percentage of the total mass of sodium chloride aqueous solution), and the mixture is stirred for standing and stratification. The organic phase was decompressed and swirled with 30 liters of solvent, and 4.74 Kg of methanol was added at a temperature higher than 50 ° C. The mixture was heated to 60 ° C.-65 ° C. for 1 hour, cooled to 10 ° C.-15 ° C., stirred for 2 hours, filtered, Washed with 4.26Kg mixed solvent of toluene and methanol (the mass ratio of toluene and methanol in the mixed solvent is 10: 3), and dried at 50 ° C under vacuum for 16 hours to obtain 5.00 kg of intermediate product of daclatasvir with a yield of 63.5percent. HPLC : 97.46percent.
63% With ammonium acetate In toluene at 95 - 100℃; for 15 h; The above toluene solution of Example A-1e-2 was charged with 78 g (1.011 moles, 20 equiv) ammonium acetate and heated to 95-100° C. The mixture was allowed to stir at 95-100° C. for 15 h. After reaction completion, the mixture was cooled to 70-80° C. and charged with 7 mL acetic acid, 40 mL n-butanol, and 80 mL of 5 vol percent aqueous acetic acid. The resulting biphasic solution was split while maintaining a temperature>50° C. The rich organic phase was charged with 80 mL of 5 vol percent aqueous acetic acid, 30 mL acetic acid and 20 mL n-butanol while maintaining a temperature>50° C. The resulting biphasic solution was split while maintaining a temperature>50° C. and the rich organic phase was washed with an additional 80 mL of 5 vol percent aqueous acetic acid. The rich organic phase was then solvent exchanged into toluene to a target volume of 215 mL by vacuum distillation. While maintaining a temperature>60° C., 64 mL MeOH was charged. The resulting slurry was heated to 70-75° C. and aged for 1 h. The slurry was cooled to 20-25° C. over 1 h and aged at that temperature for an additional hour. The slurry was filtered and the cake was washed with 200 mL 10:3 toluene:MeOH. The product was dried under vacuum at 70° C., resulting in 19.8 g (31.7 mmol, 63percent) of the desired product: 1H NMR (400 MHz, DMSO-d6) δ 13.00-11.00 (s, 2H), 7.90-7.75 (m, 4H), 7.75-7.60 (m, 4H), 7.60-7.30 (s, 2H), 4.92-4.72 (m, 2H), 3.65-3.49 (m, 2H), 3.49-3.28 (m, 2H), 2.39-2.1 (m, 2H), 2.10-1.87 (m, 6H), 1.60-1.33 (s, 8H), 1.33-1.07 (s, 10H); 13C NMR (100 MHz, DMSO-d6) δ 154.1, 153.8, 137.5, 126.6, 125.0, 78.9, 78.5, 55.6, 55.0, 47.0, 46.7, 33.7, 32.2, 28.5, 28.2, 24.2, 23.5; IR (KBr, cm-1) 2975, 2876, 1663, 1407, 1156, 1125; HRMS calcd for C36H45N6O4 (M+H; ESI+): 625.3502. Found: 625.3502. mp 190-195° C. (decomposed).
62%
Stage #1: With ammonium acetate In toluene at 95 - 100℃; for 15 h;
Stage #2: With acetic acid In water; toluene at 50 - 60℃;
Alternative Preparation of Compound (6); The toluene solution of Compound 5 was charged with 78 g (1.011 moles, 20 equiv) ammonium acetate and heated to 95-100° C. The mixture was allowed to stir at 95-100° C. for 15 hours. After reaction completion, the mixture was cooled to 50-60° C. and charged with 140 mL of 2:1 acetic acid:water. The resulting biphasic solution was split while maintaining a temperature >50° C. The organic layer was washed with 70 mL 1:1 acetic acid:water. The rich aqueous layers were combined and the residual toluene removed via vacuum distillation. While maintaining a temperature of 50-60° C., 50 mL methanol was charged followed by 68 mL 10 N NaOH. The resulting slurry was cooled to 20-25° C. over 1 hour and aged at that temperature for an additional hour. The slurry was filtered and the cake was washed with 200 mL water followed by 75 mL MeOH. The product was dried under vacuum at 70° C., resulting in 27.4 g of crude product. A 1 L jacketed flask, equipped with a nitrogen line, overhead stirrer and thermocouple was charged with 63 mL NMP and 25 g of the above crude product. The mixture was heated to 50-60° C. and charged with 83 mL MeOH. The resulting slurry was allowed to stir at 50-60° C. for 18 hours. The slurry was then charged with 208 mL MeOH while maintaining a temperature >50° C. The slurry was cooled to ambient temperature over 1.5 hours and stirred for an additional 2 hours. The solids were filtered, washed with 75 mL MeOH and dried under vacuum (at)70° C. to give 18.0 g (28.8 mmol, 62percent adjusted) of the desired product.
62% With ammonium acetate In toluene at 95 - 100℃; for 15 h; Ester (15.6 g, 23.5 mmol) and 95 mL of toluene were added into the reaction flask,then ammonium acetate (30 g, 389 mmol) was added and the temperature was raised to 98 ° C (temperature range 95 to 100 ° C) for 15 hours; ] Cooled to 60 ° C, slowly add saturated aqueous sodium bicarbonate solution to adjust the pH to 8 (PH range of 7-8); at about 60 ° C carried out stratification , then add 10 g of methanol into to the toluene layer, slowly drop temperature to 14 ° C (temperature range 10 to 15 ° C), precipitate the solid and filter to give 9. 1g imidazole product (33. 1g, yield 62 percent)
19.8 g With ammonium acetate In toluene at 95 - 100℃; for 15 h; To the above toluene solution was added 78g of ammonium acetate and heated to 95-100 ° C and kept at this temperature for 15 hours. When the reaction is complete, the reaction system was cooled to 70-80 degrees, added to the system 7mL of acetic acid, 40mL of n-butanol and 80mL 5percent aqueous acetic acid. 50 degrees phase. The organic phase was washed with 5percent acetic acid solution, the organic phase was poured into a methanol solution, filtered, the cake washed with a volume ratio of 10: 3 methanol – toluene solution, and dried under 70 degrees, to give 19.8g product, 63percent yield.
100 g With ammonium acetate In toluene for 18 h; Reflux A reaction vessel was charged with 2,2'-[biphenyl-4,4'-diylbis(2-oxoethane-2,l-diyl)] 1, l'-di- tert-butyl dipyrrolidine- 1 ,2-dicarboxylate (formula IVa, 50.0 g), ammonium acetate (115.9 g), and toluene (750 mL). The reaction mass was stirred and the temperature was raised to reflux and stirring continued for about 18 hours. Upon completion of the reaction (as monitored by TLC), the reaction mass was cooled to below about 60 °C and toluene (-400 mL) was distilled off under vacuum. After distillation, ethyl acetate (600 mL) and 5percent aqueous acetic acid (600 mL) were added. Stirring was continued for an additional 3 hours. The solution was filtered and the resulting solid washed with ethyl acetate (200 mL) to afford di-tert-butyl (2S,2'S)-2,2'-[biphenyl-4,4'-diylbis(lH-imidazole-5,2-diyl)]dipyrrolidine-l-carboxylate. Yield: 100 g
70.2 g With ammonium acetate In toluene at 95℃; for 20 h; In 2 lit three necked round bottom flask equipped with mechanical stiner, 50 g of 1,1- biphenyl-4,4-diylbis(2-chloroethanone) of Formula V, 400 ml toluene, 80.51 g of N-bocproline and 63 g diisopropylethylamine were added at 25-30°C and stined for 15 mm at same temperature. Reaction mass was heated to 70-75°C and stined for 4 hr. After completion of the reaction, filtered the reaction mass and washed with 100 ml toluene. To the filterate, 250.5 g ammonium acetate was added and heated to 95°C and stined for about 2Ohr at same temperature. After completion of the reaction, reaction mass was allowed to cool to 60°C and 500 ml 10percent methanol in water was added slowly at 50-55°C. The precipitated solids was filtered and washed with water. The obtained solid compound was stined in 250 ml methanol at 60-65°C for 1 hr and the reaction mass was allowed to cool to 25-30°C, filtered the solids and washed with 50 ml methanol followed by dried at 60-65°C to get title compound. Yield: 70.2 g.
130 g With ammonium acetate In toluene at 0.105 - 0.95℃; Ammonium acetate (390g) was added to the toluene solution of example 1 and the reaction mixture was stirred, heated to about 95°C to about 105°C and maintained for about 1 Oh to about 1 5h. The reaction mixture was cooled to about 75°C to about 80°C and water (400mL) was added to it while maintaining the temperature at about above75°C. The reaction mixture was stirred and the two layers were separated at about the same temperature. The organic layer was cooled to about room temperature and stirred for about 2h to about 3h. The solid obtained was filtered, washed with toluene and dried under vacuum at about 45°C to about 55°C. Yield: 130g

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 16, p. 3147 - 3150
[2] Patent: US2009/43107, 2009, A1, . Location in patent: Page/Page column 8
[3] Patent: WO2010/138368, 2010, A1, . Location in patent: Page/Page column 148-149
[4] Patent: KR101508022, 2015, B1, . Location in patent: Paragraph 0136-0138
[5] Patent: CN106496199, 2017, A, . Location in patent: Paragraph 0043; 0061; 0070; 0071; 0072
[6] Patent: US2008/50336, 2008, A1, . Location in patent: Page/Page column 74
[7] Patent: US2009/43107, 2009, A1, . Location in patent: Page/Page column 8
[8] Patent: CN106432204, 2017, A, . Location in patent: Paragraph 0089-0092
[9] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 17, p. 3711 - 3715
[10] Patent: CN105753844, 2016, A, . Location in patent: Paragraph 0029; 0030
[11] Patent: WO2016/178250, 2016, A1, . Location in patent: Page/Page column 25
[12] Patent: WO2017/21904, 2017, A1, . Location in patent: Page/Page column 22; 23
[13] Patent: CN107501243, 2017, A, . Location in patent: Paragraph 0019
[14] Patent: WO2018/15847, 2018, A1, . Location in patent: Paragraph 0125
  • 2
  • [ 15761-39-4 ]
  • [ 4072-67-7 ]
  • [ 1007882-23-6 ]
YieldReaction ConditionsOperation in experiment
60.0 g
Stage #1: With N-ethyl-N,N-diisopropylamine In dichloromethane at 15 - 25℃;
Stage #2: With ammonium acetate In toluene at 95 - 105℃;
4,4’-Bis(2-bromoacetyl)biphenyl bOg was added to methylene dichloride (l000ml) andstirred to get solution. Boc-L-Proline (120g) was added to it. Diisopropylethylamine68.5g was added to the reaction mass at 15-25°C. The reaction mass was stirred for about4 to 5h. The reaction mass was quenched by adding water. The aqueous layer was separated and organic layer was washed with aqueous acetic acid solution (Conc HC1 also can be used instead of acetic acid) till pH of aqueous layer was between 4-6. Theorganic layer was washed with water and distilled under vacuum to get a residue. The residue was dissolved in toluene and toluene solution was used further. Ammonium acetate 390g was added to the toluene solution and the reaction mass was stirred. The reaction mass heated to 95-105°C and maintained till completion of reaction. After completion of the reaction, the reaction mass was cooled to 50-60°C, methanol wasadded and the reaction mass cooled to 20-30°C and stirred for 2 to 3 hours. The solid was filtered and washed with toluene. Purity of crude:- 93.92percent.Crude wet cake was stirred in mixture of toluene, methanol and acetic acid and the reaction mass was heated to 60- 70°C, water was added to reaction mass at 60-70°C and the reaction mass cooled to 20-30°C and stirred. The solid obtained was filtered and washed with toluene and then withwater. Wet solid was dried. Purity - 97.04percent. The above purification was repeated to obtain 60.Og of the title compound in a purity of 98.97percent.
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 14, p. 4864 - 4868
[2] Patent: WO2018/15847, 2018, A1, . Location in patent: Paragraph 0132
  • 3
  • [ 1007882-04-3 ]
  • [ 1007882-12-3 ]
  • [ 1007882-23-6 ]
Reference: [1] Journal of Medicinal Chemistry, 2014, vol. 57, # 5, p. 1995 - 2012
[2] Patent: US2008/44379, 2008, A1, . Location in patent: Page/Page column 70
[3] Patent: US2008/50336, 2008, A1, . Location in patent: Page/Page column 68
[4] Patent: WO2009/102318, 2009, A1, . Location in patent: Page/Page column 117-118
  • 4
  • [ 14221-01-3 ]
  • [ 1007882-04-3 ]
  • [ 1007882-12-3 ]
  • [ 1007882-23-6 ]
  • [ 791-28-6 ]
Reference: [1] Patent: US2008/44380, 2008, A1, . Location in patent: Page/Page column 73
  • 5
  • [ 1007881-98-2 ]
  • [ 1007882-23-6 ]
Reference: [1] Journal of Medicinal Chemistry, 2014, vol. 57, # 5, p. 1995 - 2012
[2] Patent: US2008/44379, 2008, A1,
[3] Patent: US2008/50336, 2008, A1,
[4] Patent: US2008/44379, 2008, A1,
[5] Patent: US2008/50336, 2008, A1,
[6] Patent: WO2009/102318, 2009, A1,
[7] Patent: WO2009/102318, 2009, A1,
  • 6
  • [ 15761-39-4 ]
  • [ 1007882-23-6 ]
Reference: [1] Patent: US2008/44379, 2008, A1,
[2] Patent: US2008/50336, 2008, A1,
[3] Patent: US2008/44379, 2008, A1,
[4] Patent: US2008/50336, 2008, A1,
[5] Patent: WO2009/102318, 2009, A1,
[6] Patent: WO2009/102318, 2009, A1,
  • 7
  • [ 5467-72-1 ]
  • [ 1007882-23-6 ]
Reference: [1] Patent: US2008/44379, 2008, A1,
[2] Patent: US2008/50336, 2008, A1,
[3] Patent: US2008/44379, 2008, A1,
[4] Patent: US2008/50336, 2008, A1,
[5] Patent: WO2009/102318, 2009, A1,
[6] Patent: WO2009/102318, 2009, A1,
  • 8
  • [ 1007882-04-3 ]
  • [ 1007882-23-6 ]
Reference: [1] Patent: US2008/44379, 2008, A1,
[2] Patent: WO2009/102318, 2009, A1,
[3] Patent: US2008/50336, 2008, A1,
Recommend Products
Same Skeleton Products
Historical Records

Pharmaceutical Intermediates of
[ 1007882-23-6 ]

Daclatasvir Related Intermediates

Chemical Structure| 787-69-9

[ 787-69-9 ]

4,4'-Diacetylbiphenyl

Chemical Structure| 73183-34-3

[ 73183-34-3 ]

4,4,4',4',5,5,5',5'-Octamethyl-2,2'-bi(1,3,2-dioxaborolane)

Chemical Structure| 15761-39-4

[ 15761-39-4 ]

(S)-1-(tert-Butoxycarbonyl)pyrrolidine-2-carboxylic acid

Chemical Structure| 1009119-83-8

[ 1009119-83-8 ]

4,4'-Bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)-1,1'-biphenyl tetrahydrochloride

Chemical Structure| 74761-42-5

[ 74761-42-5 ]

MOC-Val-OH

Related Functional Groups of
[ 1007882-23-6 ]

Aryls

Chemical Structure| 1441670-89-8

[ 1441670-89-8 ]

(S)-tert-Butyl 6-(5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate

Similarity: 0.73

Chemical Structure| 1377049-84-7

[ 1377049-84-7 ]

Methyl ((2S)-1-((2S,5S)-2-(9-(2-((2S,4S)-1-((2R)-2-((methoxycarbonyl)amino)-2-phenylacetyl)-4-(methoxymethyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate

Similarity: 0.72

Chemical Structure| 864825-23-0

[ 864825-23-0 ]

(S)-1-(4-Phenyl-1H-imidazol-2-yl)ethanamine

Similarity: 0.68

Chemical Structure| 1009119-83-8

[ 1009119-83-8 ]

4,4'-Bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)-1,1'-biphenyl tetrahydrochloride

Similarity: 0.67

Chemical Structure| 870281-85-9

[ 870281-85-9 ]

(S)-tert-Butyl (1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbamate

Similarity: 0.64

Amides

Chemical Structure| 1441670-89-8

[ 1441670-89-8 ]

(S)-tert-Butyl 6-(5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate

Similarity: 0.73

Chemical Structure| 1229000-10-5

[ 1229000-10-5 ]

tert-Butyl 3-(1H-benzo[d]imidazol-2-yl)piperidine-1-carboxylate

Similarity: 0.73

Chemical Structure| 1377049-84-7

[ 1377049-84-7 ]

Methyl ((2S)-1-((2S,5S)-2-(9-(2-((2S,4S)-1-((2R)-2-((methoxycarbonyl)amino)-2-phenylacetyl)-4-(methoxymethyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate

Similarity: 0.72

Chemical Structure| 205264-33-1

[ 205264-33-1 ]

1-Boc-4-Isoquinolin-1-yl-piperazine

Similarity: 0.72

Chemical Structure| 1250996-70-3

[ 1250996-70-3 ]

tert-Butyl 2-(hydroxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazine-7(8H)-carboxylate

Similarity: 0.67

Related Parent Nucleus of
[ 1007882-23-6 ]

Pyrrolidines

Chemical Structure| 1441670-89-8

[ 1441670-89-8 ]

(S)-tert-Butyl 6-(5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate

Similarity: 0.73

Chemical Structure| 1377049-84-7

[ 1377049-84-7 ]

Methyl ((2S)-1-((2S,5S)-2-(9-(2-((2S,4S)-1-((2R)-2-((methoxycarbonyl)amino)-2-phenylacetyl)-4-(methoxymethyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate

Similarity: 0.72

Chemical Structure| 1009119-83-8

[ 1009119-83-8 ]

4,4'-Bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)-1,1'-biphenyl tetrahydrochloride

Similarity: 0.67

Chemical Structure| 1352534-35-0

[ 1352534-35-0 ]

tert-Butyl 2-(6-chloropyridin-3-yl)pyrrolidine-1-carboxylate

Similarity: 0.61

Chemical Structure| 646055-62-1

[ 646055-62-1 ]

tert-Butyl 1-benzyl-1,7-diazaspiro[4.4]nonane-7-carboxylate

Similarity: 0.57

Imidazoles

Chemical Structure| 1441670-89-8

[ 1441670-89-8 ]

(S)-tert-Butyl 6-(5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate

Similarity: 0.73

Chemical Structure| 1377049-84-7

[ 1377049-84-7 ]

Methyl ((2S)-1-((2S,5S)-2-(9-(2-((2S,4S)-1-((2R)-2-((methoxycarbonyl)amino)-2-phenylacetyl)-4-(methoxymethyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate

Similarity: 0.72

Chemical Structure| 864825-23-0

[ 864825-23-0 ]

(S)-1-(4-Phenyl-1H-imidazol-2-yl)ethanamine

Similarity: 0.68

Chemical Structure| 1009119-83-8

[ 1009119-83-8 ]

4,4'-Bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)-1,1'-biphenyl tetrahydrochloride

Similarity: 0.67

Chemical Structure| 670-83-7

[ 670-83-7 ]

2,5-Diphenyl-1H-imidazole

Similarity: 0.61