Benzamide, N-[4-methyl-3-[[4-(6-methyl-3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]- - CAS 1032314-85-4
Catalog:
BB053899
Product Name:
Benzamide, N-[4-methyl-3-[[4-(6-methyl-3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-
CAS:
1032314-85-4
Synonyms:
N-[4-methyl-3-[[4-(6-methylpyridin-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide; CHEMBL1079113; 1032314-85-4; SCHEMBL11939618; BDBM50313640; ZINC49018631
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BB053899
10 mg
$2980
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IUPAC Name: N-[4-methyl-3-[[4-(6-methylpyridin-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Description: This product is a kinase inhibitor used in the treatment of certain types of cancer, including non-small cell lung cancer and pancreatic cancer. It works by inhibiting specific enzymes involved in cell growth and proliferation, ultimately leading to tumor regression.
Molecular Weight: 507.63
Molecular Formula: C30H33N7O
Canonical SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=C(C=C5)C
InChI: InChI=1S/C30H33N7O/c1-21-4-11-26(18-28(21)35-30-31-13-12-27(34-30)25-8-5-22(2)32-19-25)33-29(38)24-9-6-23(7-10-24)20-37-16-14-36(3)15-17-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,33,38)(H,31,34,35)
InChI Key: AFMXVBAHMGWYAZ-UHFFFAOYSA-N
Purity: 95%
Density: 1.2±0.1 g/cm3
Complexity: 736
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 507.2746587
Formal Charge: 0
Heavy Atom Count: 38
Hydrogen Bond Acceptor Count: 7
Hydrogen Bond Donor Count: 2
Isotope Atom Count: 0
Monoisotopic Mass: 507.2746587
Rotatable Bond Count: 7
Topological Polar Surface Area: 86.3
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.9
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