Home Cart 0 Sign in  
X

[ CAS No. 60301-20-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 60301-20-4
Chemical Structure| 60301-20-4
Chemical Structure| 60301-20-4
Structure of 60301-20-4 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 60301-20-4 ]

Related Doc. of [ 60301-20-4 ]

Alternatived Products of [ 60301-20-4 ]

Product Details of [ 60301-20-4 ]

CAS No. :60301-20-4 MDL No. :MFCD09054755
Formula : C8H9N3 Boiling Point : -
Linear Structure Formula :- InChI Key :NYLGITXFVVEBLZ-UHFFFAOYSA-N
M.W : 147.18 Pubchem ID :12291317
Synonyms :

Calculated chemistry of [ 60301-20-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.12
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 45.4
TPSA : 43.84 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.33 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.25
Log Po/w (XLOGP3) : 1.22
Log Po/w (WLOGP) : 1.16
Log Po/w (MLOGP) : 1.52
Log Po/w (SILICOS-IT) : 0.71
Consensus Log Po/w : 1.17

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.13
Solubility : 1.1 mg/ml ; 0.00747 mol/l
Class : Soluble
Log S (Ali) : -1.74
Solubility : 2.69 mg/ml ; 0.0183 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.09
Solubility : 1.19 mg/ml ; 0.00807 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.58

Safety of [ 60301-20-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H317-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 60301-20-4 ]

* 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.

  • Downstream synthetic route of [ 60301-20-4 ]

[ 60301-20-4 ] Synthesis Path-Downstream   1~27

  • 1
  • [ 113385-39-0 ]
  • [ 60301-20-4 ]
YieldReaction ConditionsOperation in experiment
72% With hydrazine; In methanol; for 1h;Heating / reflux; Step 3:The product from Step 2 (277 mg, 1 mmol) was suspended in a mixture of methanol (15 mL) and 85% aqueous hydrazine hydrate (588 mg, 10 mmol). The mixture was heated at reflux for 1 h and then cooled to room temperature. Water (40 mL) was added and the mixture was extracted with dichloromethane (3 x 20 mL). The combined organic layers were washed with brine, dried and concentrated in vacuo. The residue was purified by flash chromatography (dichloromethane/methanol 10:1) to afford the desired compound (105 mg, 72 %).1H NMR (300 MHz, DMSO) delta 3.71 (s, 3H), 5.39 (s, 2H)D6.85-6.93 (m, IH), 7.21-7.33 (m, 2H), 7.66 (dt, 7=8.0, 1.0 Hz, IH).
  • 4
  • [ 874-05-5 ]
  • acid [ No CAS ]
  • [ 60301-20-4 ]
  • 6
  • 1-(2-phenylethyl)-4-piperidinecarbonyl chloride hydrochloride [ No CAS ]
  • [ 60301-20-4 ]
  • N-(1-methyl-1H-indazol-3-yl)-1-(2-phenylethyl)piperidine-4-carboxamide hydrochloride [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In toluene; at 20℃; for 18h; The product of Example 5b) (1.68 g; 0.006 mol) was added to a solution of <strong>[60301-20-4]1-methyl-1H-3-indazoleamine</strong> (0.86 g; 0.006 mol), prepared as described in the Journal of Heterocyclic Chemistry 1979 (16), 783-784, and of triethylamine (2.4 ml; 0.018 mol) in toluene (20 mL). The reaction mixture was stirred at room temperature for 18 h and then the solvent was removed by evaporation at reduced pressure. The residue thus obtained was taken up with 1 N NaOH and dichloromethane and transferred to a separatory funnel. The organic phase was separated, dried over Na2SO4 and the solvent was removed by evaporation at reduced pressure. The product thus obtained was transformed into the corresponding hydrochloride by dissolution in ethanol, addition of hydrogen chloride in ethanol and recrystallization from ethanol, to give the desired salt (1.6 g). m. p.: 235-237C Elemental analysis for C22H26N40. HCl 1/4 H2O C H N Found % 65.71 6.80 13.73 Calculated % 65.50 6.87 13.89 1H-NMR (delta, DMSO + D2O): 1.91-2.27 (m, 4H) 2.70-3.42 (m, 7H); 3.63-3.75 (m, 2H); 3.96 (s, 3H); 7.10 (t, J=8 Hz, 1H); 7.22-7.46 (m; 6H); 7.56 (d, J=8 Hz, 1H) 7.74 (d, J=8 Hz, 1H); 10.51 (s, 1H)
  • 7
  • 2-chlorosulfonyl-5-methoxy-7-methyl[1,2,4]triazolo[1,5c]-pyrimidine [ No CAS ]
  • [ 67-68-5 ]
  • [ 60301-20-4 ]
  • N-(1-methyl-3-indazolyl)-5-methoxy-7-methyl[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
With pyridine; In dichloromethane; water; acetonitrile; 2. Preparation of N-(1-Methyl-3-indazolyl)-5-methoxy-7-methyl[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide Pyridine (0.30 g, 3.8 mmol) and dimethyl sulfoxide (DMSO) (0.030 g, 0.38 mmol) were added with stirring to a solution of 1.0 g (3.8 mmol) 2-chlorosulfonyl-5-methoxy-7-methyl[1,2,4]triazolo[1,5c]-pyrimidine and 0.56 g (3.8 mmol) of <strong>[60301-20-4]3-amino-1-methylindazole</strong> in 15 mL of acetonitrile and the mixture was allowed to react at ambient temperature for 18 hours. The volatiles were then removed by evaporation under reduced pressure and the residue was taken up in dichloromethane. The resulting mixture was washed with water. The solids present were then collected by filtration, washed with 20 mL of ether, and resuspended in 50 mL of water. The solids were collected by filtration, washed with ether, and dried at 40 C. under reduced pressure to obtain 0.961 g (68 percent of theory) of the title compound as a tan solid melting at 181-183 C. Elemental Analysis C15 H15 FN7 O3 S Calc.: %C, 48.3; %H, 4.05; %N, 26.3; %S, 8.59 Found: %C, 48.3; %H, 4.21; %N, 26.1; %S, 8.24 Nuclear Magnetic Resonance Spectrum (200 MHz, DMSO-d6): 1 H: 11.38 (brs, 1H), 7.62 (d, 1H, J=2.1), 7.53 (d, 1H, J=2.1), 7.38 (s, 1H), 7.35 (m, 1H), 7.07 (m, 1H), 4.17 (s, 3H), 3.85 (s, 3H), 2.48 (s, 3H); 13 C: 164.3, 156.2, 155.2, 148.3, 140.5, 135.7, 126.6, 120.4, 119.9, 117.9, 109.7, 103.0, 56.5, 35.2, 23.5.
  • 8
  • [ 394-47-8 ]
  • [ 60-34-4 ]
  • [ 60301-20-4 ]
YieldReaction ConditionsOperation in experiment
92% In ethanol;Reflux; General procedure: A mixture of benzonitrile 1 (10.0 mmol) and methylhydrazine (2.8 mL, 50.0 mmol) in EtOH (10.0 mL) was heated to reflux overnight. The mixture was cooled to rt and then concentrated. H2O (10.0 mL) and EtOAc (20.0 mL) were added to the residue. The organic layer was washed with H2O (10.0 mL), brine (10.0 mL), dried over Na2SO4, filtered, and concentrated in vacuo. The residue was subjected to silica-gel chromatography by using EtOAc/hexanes (1:1) as eluent to give the product 2.
  • 9
  • [ 360575-28-6 ]
  • [ 60301-20-4 ]
  • 10
  • [ 1073-06-9 ]
  • [ 60301-20-4 ]
  • 11
  • [ 365427-30-1 ]
  • [ 60301-20-4 ]
YieldReaction ConditionsOperation in experiment
Example 4C 1-methyl-1H-indazol-3-amine A mixture of palladium(II) acetate (82 mg, 2 mol %) and Xantphos (287 mg, 3 mol %) in toluene (10 mL) was stirred for 5 minutes at ambient temperature. To the solution was added a solution of Example 4B (3.68 g, 17.4 mmol) and benzophenone imine (3.00 g, 17.4 mmol) in toluene (30 mL). The mixture was evacuated and purged with nitrogen two times, then stirred at ambient temperature for 15 minutes. Sodium tert-butoxide (1.90 g, 24.4 mmol) was added and the mixture was evacuated and purged with nitrogen. The mixture was heated at between 80 and 85 C. for 2 hours, cooled to ambient temperature, and diluted with water (30 mL). The layers were partitioned and the aqueous layer was extracted with additional toluene (20 mL). The combined organic layers were stirred with 6 N HCl (10 mL) for 1 hour, then 40 mL of water was added to dissolve the solids. The toluene layer was discarded and the aqueous layer filtered to remove insoluble material. The aqueous layer was adjusted to pH 14 with the addition of 50% NaOH and the resulting solid was filtered and dried to provide the title compound. MS (DCI/NH3) m/z 202 (M+H)+.
  • 12
  • [ 60301-20-4 ]
  • [ 13436-48-1 ]
YieldReaction ConditionsOperation in experiment
86% With tert.-butylnitrite; In tetrahydrofuran; for 1h;Reflux; A mixture of <strong>[60301-20-4]3-amino-1-methyl-1H-indazole</strong> 2 (3.0 mmol) and tert-butyl nitrite (1.0 mL, 8.1 mmol, 2.7 equiv) in THF (12.0 mL) was heated to reflux for 1 h. The mixture was cooled to rt and then concentrated. H2O (10.0 mL) and EtOAc (20.0 mL) were added to the residue. The organic layer was washed with H2O (10.0 mL), brine (10.0 mL), dried over Na2SO4, filtered, and concentrated in vacuo. The residue was subjected to silica-gel chromatography by using Et2O/hexanes (1:4) as eluent to give the product 3.
  • 13
  • [ 13436-48-1 ]
  • [ 60301-20-4 ]
  • 14
  • 4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole [ No CAS ]
  • [ 76-05-1 ]
  • [ 60301-20-4 ]
  • 7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine trifluoroacetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
60 mg Example 26 Synthesis of 7-(3,5-Dimethylisoxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine (Cpd. No. 12) S13 (90 mg) and <strong>[60301-20-4]1-methyl-1H-indazol-3-amine</strong> (90 mg) were dissolved in isopropanol (30 mL). Four drops of concentrated HCl was added via a glass pipette. The mixture was heated at reflux for overnight. The reaction was concentrated on a rotary evaporator and the remaining residues were purified by HPLC to yield the desired product Cpd. No. 12 in 60 mg as a salt of trifluoroacetic acid. 1H NMR (300 MHz, MeOD-d4): 8.44 (d, J=7.88 Hz, 1H), 7.84 (s, 1H), 7.68 (d, J=8.62 Hz, 1H), 7.57 (t, J=7.63 Hz, 1H), 7.47 (s, 1H), 7.30 (t, J=7.55 Hz, 1H), 4.16 (s, 3H), 3.86 (s, 3H), 2.73 (s, 3H), 2.33 (s, 3H), 2.16 (s, 3H). ESI-MS calculated for C25H24N7O2 [M+H]+=454.20; Observed: 454.42.
  • 15
  • 4-(4-chloro-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole [ No CAS ]
  • [ 76-05-1 ]
  • [ 60301-20-4 ]
  • 7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine trifluoroacetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
19 mg Example 4 Synthesis of 7-(3,5-Dimethylisoxazol-4-yl)-6-methoxy-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine (Cpd. No. 17) 4-(4-Chloro-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD54, 56 mg) and <strong>[60301-20-4]1-methyl-1H-indazol-3-amine</strong> (60 mg) were dissolved in isopropanol (5 mL). Five drops of concentrated HCl was added via a glass pipette. The mixture was heat at reflux for overnight. The reaction was then concentrated on a rotary evaporator and the remaining residues was purified by reverse phase HPLC to yield Cpd. No. 17 in 19 mg as a salt of CF3CO2H. 1H NMR (300 MHz, MeOD-d4): 8.57 (s, 1H), 8.17 (s, 1H), 7.91 (d, J=8.42 Hz, 1H), 7.70 (d, J=8.42 Hz, 1H), 7.62-7.54 (m, 1H), 7.54 (s, 1H), 7.32 (d, J=7.40 Hz, 1H), 4.20 (s, 3H), 3.98 (s, 3H), 2.35 (s, 3H), 2.18 (s, 3H). ESI-MS calculated for C24H22N7O2 [M+H]+=440.18, Observed: 440.58
  • 16
  • 4-(4-chloro-2-isopropyl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole [ No CAS ]
  • [ 76-05-1 ]
  • [ 60301-20-4 ]
  • 7-(3,5-dimethylisoxazol-4-yl)-2-isopropyl-6-methoxy-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine trifluoroacetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
40 mg Example 6 Synthesis of 7-(3,5-Dimethylisoxazol-4-yl)-2-isopropyl-6-methoxy-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine (Cpd. No. 18) 4-(4-Chloro-2-isopropyl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD177, 70 mg) and <strong>[60301-20-4]1-methyl-1H-indazol-3-amine</strong> (60 mg) were dissolved in isopropanol (5 mL). Five drops of concentrated HCl was added via a glass pipette. The mixture was heat at reflux for overnight. The reaction was then concentrated on a rotary evaporator and the remaining residues was purified by reverse phase HPLC to yield Cpd. No. 18 in 40 mg as a salt of CF3CO2H. 1H NMR (300 MHz, MeOD-d4): 7.97 (d, J=8.32 Hz, 1H), 7.90 (s, 1H), 7.67 (d, J=8.53 Hz, 1H), 7.62-7.55 (m, 1H), 7.49 (s, 1H), 7.31 (t, J=7.42 Hz, 1H), 4.16 (s, 3H), 3.89 (s, 3H), 3.36 (septet, J=6.78 Hz, 1H), 2.33 (s, 3H), 2.16 (s, 3H), 1.50 (d, J=6.90 Hz, 6H). ESI-MS calculated for C27H28N7O2 [M+H]+=482.23, Observed: 482.42.
  • 17
  • 4-(4-chloro-6-methoxy-2-(tetrahydro-2H-pyran-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole [ No CAS ]
  • [ 76-05-1 ]
  • [ 60301-20-4 ]
  • 7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-N-(1-methyl-1H-indazol-3-yl)-2-(tetrahydro-2H-pyran-4-yl)-9H-pyrimido[4,5-b]indol-4-amine trifluoroacetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
13 mg Example 8 Synthesis of 7-(3,5-Dimethylisoxazol-4-yl)-6-methoxy-N-(1-methyl-1H-indazol-3-yl)-2-(tetrahydro-2H-pyran-4-yl)-9H-pyrimido[4,5-b]indol-4-amine (Cpd. No. 20 (0430) (0431) 4-(4-Chloro-6-methoxy-2-(tetrahydro-2H-pyran-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD197, 28 mg) and <strong>[60301-20-4]1-methyl-1H-indazol-3-amine</strong> (60 mg) were dissolved in isopropanol (5 mL). Four drops of concentrated HCl was added via a glass pipette. The mixture was heat at reflux for overnight. The reaction was then concentrated on a rotary evaporator and the remaining residues was purified by reverse phase HPLC to yield Cpd. No. 21 in 13 mg as a salt of CF3CO2H. 1H NMR (300 MHz, MeOD-d4): 7.93 (d, J=8.16 Hz, 1H), 7.88 (s, 1H), 7.68 (d, J=8.35 Hz, 1H), 7.64-7.54 (m, 1H), 7.49 (s, 1H), 7.34-7.24 (m, 1H), 4.17 (s, 3H), 4.08 (dt, J=6.13, 2.73 Hz, 2H), 3.88 (s, 3H), 3.70-3.45 (m, 2H), 2.33 (s, 3H), 2.16 (s, 3H), 2.10-1.98 (m, 5H). ESI-MS calculated for C29H30N7O3 [M+H]+=524.24, Observed: 524.50.
  • 18
  • C15H21N3O6 [ No CAS ]
  • [ 60301-20-4 ]
  • C23H27N7O3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
3-(tert-butoxycarbonylamino)-i -propylamine (0.3 mmol), 4-fluoro-3-nitrobenzoic acid (0.3 mmol) and DIPEA (0.6 mmol) in dioxane (2 mE) were heated to 100C. for 1 h, subsequently the solvent was evaporated. To the residue was added aqueous citric acid (5%), and the mixture was extracted twice with ethyl acetate. The combined organic layers were washed twice with saturated aqueous sodium chloride solution, dried with magnesium sulphate, filtered and evaporated to dryness. Then palladium on activated carbon (5%, moistened with 50% water; Degussa Type E 101 NO/W; 15 mg) and methanol (2 mE) were added, followed by triethylsilane (500 dropwise addition over 3 mi. Afier shaking the mixture for additional 5 mm, it was filtered through celite, evaporated to dryness, and the residue was treated with DMF (2 mE) and isopentyl nitrite (0.9 mmol) at 60 C. overnight in a thoroughly closed glass vial. After cooling to room temperature, aqueous citric acid (5%, 2 mE) was added and themixture was extracted three times with ethyl acetate. The combined organic layers were washed three times with saturated aqueous sodium chloride solution, dried with magnesium sulphate, filtered, evaporated and dried in vacuo.The residue was dissolved in dioxane (1 mE) and DIPEA (0.6 mmol) and treated with a solution of bis(trichloromethyl) carbonate (0.1 mmol) in dioxane (1 mE) for 30 mm at room temperature. Subsequently, 3-amino-i -methylindazole (0.3 mmol) in dichloromethane (1 mE) was added and the mixture was agitated for 30 mm, whereupon the solvents were evaporated and the residue was treated with saturated aqueous sodium carbonate solution (2 mE) and extracted twice with ethyl acetate. The combined organic layers were washed twice with aqueous citric acid (5%) and with saturated aqueous sodium carbonate, dried with magnesium sulphate, filtered through celite and evaporated to dryness.The residue was treated with dichloromethane (2 mE), triethylsilane (0.1 mE) and trifluoroacetic acid (1 mE) for 15 mm at room temperature. Then the solvents were evaporated and the residue was purified by preparative reverse-phase HPEC-MS. ESI-MS: 350 (M+i).
  • 19
  • [ 29671-92-9 ]
  • [ 60301-20-4 ]
  • 1-(1-methyl-1H-indazol-3-yl)guanidine [ No CAS ]
  • 20
  • [ 394-47-8 ]
  • [ 60301-20-4 ]
  • 21
  • [ 874-05-5 ]
  • [ 60301-20-4 ]
  • 23
  • [ 104-87-0 ]
  • [ 60301-20-4 ]
  • (S)-N-(1-methylindazol-3-yl)-1-(p-tolyl)benzylamine [ No CAS ]
  • 24
  • 8-bromo-1-methyl-4,5-dihydro-6H-benzo[f][1,2,4]triazolo[4,3-a]azepin-6-one [ No CAS ]
  • [ 60301-20-4 ]
  • C20H17BrN6 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With toluene-4-sulfonic acid; calcium chloride; In toluene; at 140℃; for 12h; General procedure: S7 (500 mg,1.7 mmol,1.0 eq.), 4-chloroaniline (655 mg,5.1 mmol, 3.0 eq.) and TsOH-H2O (455 mg, 2.4 mmol, 1.4 eq.) wereplaced in a 100 mL round-bottom flask, and toluene (45 mL) wasadded. A pressure-equalizing dropping funnel containing anhydrouscalcium chloride was charged to the reaction vessel. Thereaction mixture was heated up at 140 C for 12 h. The reactionwasthen cooled to ambient temperature and the toluene was removedon a rotary evaporator to produce the corresponding imine intermediate. NaBH(OAc)3 (1.4 g, 6.8 mmol, 4.0 eq.), AcOH (1.0 mL),and 1,2-dichloroethane (15 mL) were added to the imineintermediate-containing reaction flask. The mixture was stirred atroom temperature for 6 h, followed by addition of a second portionof NaBH(OAc)3 (726 mg, 3.4 mmol, 2.0 eq.). The reaction wasallowed to stir for another 2 h before quenching by addition ofsaturated NaHCO3 solution. The aqueous layer was extracted withethyl acetate for three times. The combined organic layers wasdried over anhydrous sodium sulfate and concentrated in vacuo.The residue was purified by flash column chromatography to afford24 (414 mg, 60% yield). The syntheses of 14a-23a and 46a weresimilar to that of 24. The reaction yields were 80% (from S1 to 14a),91% (fromS1 to 15a), 69% (fromS1 to 16a), 20% (fromS7 to 17a), 74%(from S7 to 18a), 30% (from S7 to 19a), 37% (from S7 to 21a), 33%(from S7 to 22a), 39% (from S2 to 23a), and 54% (from S7 to 46a), respectively. In order to synthesize 20a, the corresponding imideintermediate was reduced by NaBH4 (5.0 eq) in methanol for 3 h atroom temperature. The reaction yield was 45% (from S7 to 20a).
  • 25
  • phenyl (6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)carbamic acid ester [ No CAS ]
  • [ 60301-20-4 ]
  • 1-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-3-(1-methyl-1H-indazole-3-yl)urea [ No CAS ]
YieldReaction ConditionsOperation in experiment
38 mg With triethylamine; In N,N-dimethyl-formamide; at 50℃; The final product 03 (30 mg, 0.0927 mmol),1-Methyl-1H-indazol-3-amine (41 mg, 0.278 mmol) and Et3N (38 mg, 0.376 mmol) were weighed into bottles,Add 2 mL of DMF to dissolve the reaction reagent.The reaction was heated at 50 C overnight.The crude reaction product was directly purified by reverse-phase HPLC to obtain the target compound YB138 (38 mg).
  • 26
  • phenyl (R)-(6-(4-(1-hydroxypropan-2-yl)-4H-1,2,4-triazol-3-yl)pyridin-2-yl) carbamate [ No CAS ]
  • [ 60301-20-4 ]
  • (R)-1-(6-(4-(1-hydroxyprop-2-yl)-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-3-(1-methyl-1H-indazol-3-yl)urea [ No CAS ]
YieldReaction ConditionsOperation in experiment
7.1 mg With triethylamine; In N,N-dimethyl-formamide; at 50℃; <strong>[60301-20-4]1-methyl-3-amino-1H-indazole</strong> (22 mg, 0.15 mmol), YD040 (25 mg, 0.074 mmol) and Et3N (30 mg, 0.296 mmol) were weighed into a bottle, and DMF was added to dissolve the reaction reagent. The reaction was heated at 50 C overnight.The crude reaction product was directly purified by reverse-phase HPLC to obtain the target compound YD062 (7.1 mg).
  • 27
  • phenyl (6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)carbamic acid ester [ No CAS ]
  • [ 76-05-1 ]
  • [ 60301-20-4 ]
  • (x)C2HF3O2*C19H20N8O [ No CAS ]
YieldReaction ConditionsOperation in experiment
83% General procedure: General Method B: 11c (30mg, 0.0929mmol), pyridin-2-amine (26mg, 0.28mmol), and Et3N (38mg, 0.37mmol) were placed in a round-bottom flask, followed by addition of DMF (2mL). The mixture was heated up at 50C for 12h. Water (4mL) was added and the mixture was purified by reverse phase HPLC to afford 11h as a solid of TFA salt (22.9mg, 56%).
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 60301-20-4 ]

Amines

Chemical Structure| 959240-93-8

[ 959240-93-8 ]

4-Chloro-1-methyl-1H-indazol-3-amine

Similarity: 0.82

Chemical Structure| 50593-24-3

[ 50593-24-3 ]

1-Methyl-1H-indazol-5-amine

Similarity: 0.81

Chemical Structure| 50593-30-1

[ 50593-30-1 ]

2-Methyl-2H-indazol-6-amine

Similarity: 0.81

Chemical Structure| 494767-19-0

[ 494767-19-0 ]

1-Methyl-1H-pyrazolo[4,3-c]pyridin-4-amine

Similarity: 0.81

Chemical Structure| 1031927-24-8

[ 1031927-24-8 ]

6-Methoxy-1-methyl-1H-indazol-3-amine

Similarity: 0.80

Related Parent Nucleus of
[ 60301-20-4 ]

Indazoles

Chemical Structure| 959240-93-8

[ 959240-93-8 ]

4-Chloro-1-methyl-1H-indazol-3-amine

Similarity: 0.82

Chemical Structure| 50593-24-3

[ 50593-24-3 ]

1-Methyl-1H-indazol-5-amine

Similarity: 0.81

Chemical Structure| 50593-30-1

[ 50593-30-1 ]

2-Methyl-2H-indazol-6-amine

Similarity: 0.81

Chemical Structure| 1031927-24-8

[ 1031927-24-8 ]

6-Methoxy-1-methyl-1H-indazol-3-amine

Similarity: 0.80

Chemical Structure| 108552-99-4

[ 108552-99-4 ]

1-Propyl-1H-indazol-3-amine

Similarity: 0.80