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1194961-19-7 | 5-Pyrimidinecarboxamide, 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(3-methylphenyl)amino]-
CAS No: 1194961-19-7 Catalog No: AG000IVF MDL No:
Product Description
Catalog Number:
AG000IVF
Chemical Name:
5-Pyrimidinecarboxamide, 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(3-methylphenyl)amino]-
CAS Number:
1194961-19-7
Molecular Formula:
C18H24N6O
Molecular Weight:
340.4228
IUPAC Name:
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
InChI:
InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
InChI Key:
NZNTWOVDIXCHHS-LSDHHAIUSA-N
SMILES:
N[C@H]1CCCC[C@H]1Nc1ncc(c(n1)Nc1cccc(c1)C)C(=O)N
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
340.201g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
340.431g/mol
Monoisotopic Mass:
340.201g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Functional characterization of BTK(C481S) mutation that confers ibrutinib resistance: exploration of alternative kinase inhibitors. | Leukemia 20150401 |
| Selective, novel spleen tyrosine kinase (Syk) inhibitors suppress chronic lymphocytic leukemia B-cell activation and migration. | Leukemia 20120701 |
| Discovery and development of spleen tyrosine kinase (SYK) inhibitors. | Journal of medicinal chemistry 20120426 |
| Critical role for Syk in responses to vascular injury. | Blood 20111103 |
| Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. | Bioorganic & medicinal chemistry letters 20111015 |
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