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1370261-96-3 | 5-Pyrimidinecarboxamide, 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[3-(2H-1,2,3-triazol-2-yl)phenyl]amino]-
CAS No: 1370261-96-3 Catalog No: AG0012PZ MDL No:
Product Description
Catalog Number:
AG0012PZ
Chemical Name:
5-Pyrimidinecarboxamide, 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[3-(2H-1,2,3-triazol-2-yl)phenyl]amino]-
CAS Number:
1370261-96-3
Molecular Formula:
C19H23N9O
Molecular Weight:
393.4456
IUPAC Name:
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
InChI:
InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1
InChI Key:
TXGKRVFSSHPBAJ-JKSUJKDBSA-N
SMILES:
N[C@H]1CCCC[C@H]1Nc1ncc(c(n1)Nc1cccc(c1)n1nccn1)C(=O)N
UNII:
K9C42672RH
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
393.203g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
393.455g/mol
Monoisotopic Mass:
393.203g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Rational design of highly selective spleen tyrosine kinase inhibitors. | Journal of medicinal chemistry 20121213 |
| Selective, novel spleen tyrosine kinase (Syk) inhibitors suppress chronic lymphocytic leukemia B-cell activation and migration. | Leukemia 20120701 |
| Specific inhibition of spleen tyrosine kinase suppresses leukocyte immune function and inflammation in animal models of rheumatoid arthritis. | The Journal of pharmacology and experimental therapeutics 20120201 |
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