 Home > Encyclopedia > AC480 (BMS-599626)

AC480 (BMS-599626)

AC480 (BMS-599626) structure

CAS No:
714971-09-2
Formula:
C27H27FN8O3
Chemical Name:
AC480 (BMS-599626)
Synonyms:
Carbamic acid, [4-[[1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-, (3S)-3-morpholinylmethyl ester (9CI);N-[4-[[1-[(3-Fluorophenyl)Methyl]-1H-indazol-5-yl]aMino]-5-Methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbaMic Acid (3S)-3-MorpholinylMethyl Ester;[(3S)-Morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methyl-pyrrolo;(S)-Morpholin-3-ylmethyl (4-((1-(3-fluorobenzyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo[2,1-f][1,;AC480 (BMS-599626);(S)-morpholin-3-ylmethyl 4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-ylcarbamate;(3S)-morpholin-3-ylmethyl N-[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate;BMS599626 Free base
Categories:
Biochemical Engineering > Inhibitors

Description

AC480 (BMS-599626) is a selective and efficacious inhibitor of HER1 and HER2 with IC50 of 20 nM and 30 nM, ~8-fold less potent to HER4, >100-fold to VEGFR2, c-Kit, Lck, MET etc.IC50 value: 20 nM (HER1); 30 nM (HER2) [1]Target: HER1/HER2in vitro: BMS-599626 inhibited HER1 and HER2 with IC50 of 20 and 30 nmol/L, respectively, and was highly selective when tested against a broad panel of diverse protein kinases. Biochemical studies suggested that BMS-599626 inhibited HER1 and HER2 through d

BMS-599626 has been used in trials studying the treatment of Cancer, Metastases, and HER2 or EGFR Expressing Advanced Solid Malignancies.

AC480 (BMS-599626) Basic Attributes

Molecular Weight：

530.561

Exact Mass：

530.218994

UNII：

2252724U5N

DSSTox ID：

DTXSID60221714

Characteristics

PSA：

120

XLogP3：

1.47

Density：

1.5±0.1 g/cm3

Refractive Index：

1.720

Safety Information

Transport codes：

NONH for all modes of transport

Drug Information

MeSH Entry Terms：

(4-((1-(3-fluorophenyl)methyl)-1H-indazol-5-ylamino)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yl)carbamic acid 3-morpholinylmethyl ester

AC480 (BMS-599626) Use and Manufacturing

It is a highly selective and potent inhibitor of HER1 and HER2 kinases and inhibits tumor cell proliferation through modulation of receptor signaling.BMS-599626 inhibits HER1/HER2 receptor heterodimerization and provides an additional mechanism of inhibiting tumors in which receptor coexpression and heterodimerization play a major role in driving tumor growth.

Computed Properties

Molecular Weight:530.6
XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:530.21901492
Monoisotopic Mass:530.21901492
Topological Polar Surface Area:120
Heavy Atom Count:39
Complexity:828
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes