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Merck
CN

SML1494

Sigma-Aldrich

BMS-599626

≥98% (HPLC)

Synonym(s):

(3S)-3-Morpholinylmethyl-[4-[[1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-Carbamic acid, AC480

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About This Item

Empirical Formula (Hill Notation):
C27H27FN8O3
CAS Number:
714971-09-2
Molecular Weight:
530.55
MDL number:
MFCD10565678
UNSPSC Code:
12352200
PubChem Substance ID:
329825919

Key Documents

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Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 20 mg/mL, clear

storage temp.

−20°C

SMILES string

CC(C(NC(OC[C@@H]1COCCN1)=O)=C2)=C3N2N=CN=C3NC4=CC(C=NN5CC6=CC(F)=CC=C6)=C5C=C4

InChI

1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1

InChI key

LUJZZYWHBDHDQX-QFIPXVFZSA-N

Gene Information

human ... EGFR(1956), ERBB2(2064), ERBB4(2066)

Biochem/physiol Actions

BMS-599626 is a potent inhbitor of Pan-HER kinase.
BMS-599626 is a potent inhbitor of human epidermal growth factor receptors 1 and 2 (HER1 and HER2, IC50 = 20 and 30 nM, respectively). BMS599626 inhibits proliferation of several HER-expressing cancer cell lines, including HER2-overexpressing breast cancer lines, but does not affect the proliferation rate of HER-negative cancer cell lines.

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
125M4726V

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