Home Cart 0 Sign in  
X

[ CAS No. 100155-73-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 100155-73-5
Chemical Structure| 100155-73-5
Chemical Structure| 100155-73-5
Structure of 100155-73-5 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 100155-73-5 ]

Related Doc. of [ 100155-73-5 ]

Alternatived Products of [ 100155-73-5 ]

Product Details of [ 100155-73-5 ]

CAS No. :100155-73-5 MDL No. :MFCD09802324
Formula : C8H12N2 Boiling Point : -
Linear Structure Formula :- InChI Key :ARIBPNACTHQUIK-UHFFFAOYSA-N
M.W :136.19 Pubchem ID :22736921
Synonyms :

Calculated chemistry of [ 100155-73-5 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.38
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 41.52
TPSA : 38.91 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.66 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.8
Log Po/w (XLOGP3) : 0.67
Log Po/w (WLOGP) : 1.17
Log Po/w (MLOGP) : 0.55
Log Po/w (SILICOS-IT) : 1.42
Consensus Log Po/w : 1.12

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.42
Solubility : 5.2 mg/ml ; 0.0382 mol/l
Class : Very soluble
Log S (Ali) : -1.06
Solubility : 11.8 mg/ml ; 0.0864 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.48
Solubility : 0.456 mg/ml ; 0.00335 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.87

Safety of [ 100155-73-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 100155-73-5 ]

* 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 [ 100155-73-5 ]

[ 100155-73-5 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 108018-18-4 ]
  • [ 100155-73-5 ]
  • 2
  • [ 100155-73-5 ]
  • [ 339290-22-1 ]
  • [ 339537-68-7 ]
YieldReaction ConditionsOperation in experiment
Example 45 7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-amino]-quinoline-3-carboxylic acid ethyl-pyridin-2-ylmethyl-amide The title compound was provided by the reaction of 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-quinoline-3-carboxylic acid and <strong>[100155-73-5]ethyl-pyridin-2-ylmethyl-amine</strong> in a procedure analogous to Examples 1-34. MS (APCI) 555 (M+1)+; 553 (M-1)-
  • 3
  • [ 100155-73-5 ]
  • [ 13750-81-7 ]
  • [ 1254301-39-7 ]
  • 4
  • [ 100155-73-5 ]
  • [ 13750-81-7 ]
  • [ 1254301-45-5 ]
  • 2,6-dimethyl-5,8-bis[1-methyl-1H-imidazol-2-yl]-3,7-dipyridin-2-yl-1,4-diazatricyclo[3.2.1.0(2,7)]oct-3-ene [ No CAS ]
  • 5
  • [ 100155-73-5 ]
  • [ 1589541-39-8 ]
  • C36H35N7O [ No CAS ]
YieldReaction ConditionsOperation in experiment
To a 8 mL vial charged with imidazole (17.3 mg, 0.26 mmol) and tert-butyl (6-amino-1-trityl-1H-pyrazolo[4,3-c]pyridin-3-yl)(ethyl)carbamate (26.5 mg, 0.051 mmol) in DCM (1ml) was added 1,1'-carbonyldiimidazole (25 mg, 0.153 mmol). The reaction mixture was stirred at room temperature for 5 h, leading to a clear yellow solution. A solution of <strong>[100155-73-5]1-(pyridin-2-yl)propan-1-amine</strong>, 2HCl (21.33 mg, 0.102 mmol) and DIEA (0.045 ml, 0.255mmol) in DMF (1 ml) was added. The vial was capped and the contents stirred at room temperature for 16 h. The reaction mixture was concentrated and the resulting residue redissolved in TFA (1 ml) and stirred at room temperature for 20 minutes. Triethylsilane (0.008 ml, 0.051 mmol) was added dropwise, and the reaction mixture stirred for an additional 5 minutes. The mixture was concentrated, re-dissolved in DMSO (1.5 mL) and submitted for purification by mass-triggered preparative HPLC to afford 1-(3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1-(pyridin-2-yl)propyl)urea (4.1 mg, 0.012 mmol, 23.69 % yield) as a white solid.
  • 6
  • [ 3238-55-9 ]
  • [ 100155-73-5 ]
YieldReaction ConditionsOperation in experiment
With ammonium acetate; sodium cyanotrihydridoborate In methanol at 20℃; for 24h;
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 100155-73-5 ]

Amines

Chemical Structure| 192223-66-8

[ 192223-66-8 ]

(S)-1-(Pyridin-2-yl)propan-1-amine

Similarity: 1.00

Chemical Structure| 249920-06-7

[ 249920-06-7 ]

(R)-1-(Pyridin-2-yl)propan-1-amine

Similarity: 1.00

Chemical Structure| 2829292-58-0

[ 2829292-58-0 ]

(S)-1-(Pyridin-2-yl)propan-1-amine dihydrochloride

Similarity: 0.98

Chemical Structure| 339312-61-7

[ 339312-61-7 ]

(S)-1-(Pyridin-2-yl)propan-1-amine hydrochloride

Similarity: 0.98

Chemical Structure| 1185320-33-5

[ 1185320-33-5 ]

1-(6-Methylpyridin-2-yl)propan-1-amine

Similarity: 0.98

Related Parent Nucleus of
[ 100155-73-5 ]

Pyridines

Chemical Structure| 192223-66-8

[ 192223-66-8 ]

(S)-1-(Pyridin-2-yl)propan-1-amine

Similarity: 1.00

Chemical Structure| 249920-06-7

[ 249920-06-7 ]

(R)-1-(Pyridin-2-yl)propan-1-amine

Similarity: 1.00

Chemical Structure| 2829292-58-0

[ 2829292-58-0 ]

(S)-1-(Pyridin-2-yl)propan-1-amine dihydrochloride

Similarity: 0.98

Chemical Structure| 339312-61-7

[ 339312-61-7 ]

(S)-1-(Pyridin-2-yl)propan-1-amine hydrochloride

Similarity: 0.98

Chemical Structure| 1185320-33-5

[ 1185320-33-5 ]

1-(6-Methylpyridin-2-yl)propan-1-amine

Similarity: 0.98