N6-(2-Chloro-6-methyl-4-pyrimidinyl)-2-methyl-4,6-quinolinediamine - CAS 852808-01-6

Catalog:	BB069184
Product Name:	N6-(2-Chloro-6-methyl-4-pyrimidinyl)-2-methyl-4,6-quinolinediamine
CAS:	852808-01-6
Synonyms:	N6-(2-Chloro-6-methylpyrimidin-4-yl)-2-methylquinoline-4,6-diamine; N~6~-(2-chloro-6-methylpyrimidin-4-yl)-2-methylquinoline-4,6-diamine; N~6~~(2-chloro-6-methylpyrimidin-4-yl)-2-methylquinoline-4,6-diamine

Technical Data

IUPAC Name:	6-N-(2-chloro-6-methylpyrimidin-4-yl)-2-methylquinoline-4,6-diamine
Description:	N6-(2-Chloro-6-methyl-4-pyrimidinyl)-2-methyl-4,6-quinolinediamine is an intermediate in the synthesis of NSC 23766 (N900280), which is a highly soluble and membrane permeable Rac GTPase inhibitor. NSC 23766 inhibits Rac GTPase by targeting Rac activation by guanine nucleotide exchange factor (GEF). NSC 23766 has been shown to inhibit the anchorage-independent growth and invasion phenotypes of human prostate cancer PC-3 cells.
Molecular Weight:	299.76
Molecular Formula:	C15H14ClN5
Canonical SMILES:	CC1=CC(=C2C=C(C=CC2=N1)NC3=NC(=NC(=C3)C)Cl)N
InChI:	InChI=1S/C15H14ClN5/c1-8-5-12(17)11-7-10(3-4-13(11)18-8)20-14-6-9(2)19-15(16)21-14/h3-7H,1-2H3,(H2,17,18)(H,19,20,21)
InChI Key:	LERMBBQRLSLHII-UHFFFAOYSA-N
Solubility:	DMSO; Methanol
Appearance:	Off-White Solid
References:	Gao, Y., et. al. Proc. Natl. Acad. Sci. U.S.A., 101, 7618, (2004); Akbar, H., et. al. Methods Enzymol, 406, 554 (2006).

Complexity:	355
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	299.0937732
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	299.0937732
Rotatable Bond Count:	2
Topological Polar Surface Area:	76.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4