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BMS 833923 structure, CAS 1059734-66-5

BMS 833923

CAS Number1059734-66-5

SynonymsXL139; N-{2-Methyl-5-[(methylamino)methyl]phenyl}-4-[(4-phenyl-2-quinazolinyl)amino]benzamide; N-{2-methyl-5-[(methylamino)methyl]phenyl}-4-[(4-phenylquinazolin-2-yl)amino]benzamide; BMS-833923

Molecular FormulaC30H27O1N5

Molecular Weight473.58

Purity

Density1.3±0.1 g/cm3

Boiling Point

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-3183465 Purity:
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Quality Control of [ 1059734-66-5 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number1059734-66-5
Catalog No.2A-3183465
Chinese NameBMS-833923
SynonymsXL139; N-{2-Methyl-5-[(methylamino)methyl]phenyl}-4-[(4-phenyl-2-quinazolinyl)amino]benzamide; N-{2-methyl-5-[(methylamino)methyl]phenyl}-4-[(4-phenylquinazolin-2-yl)amino]benzamide; BMS-833923
Molecular FormulaC30H27O1N5
Molecular Weight473.58
Density1.3±0.1 g/cm3
Appearancepowder
Storage Condition-20℃
ApplicationBMS-833923 (XL-139) is an orally biocompatible Smoothened inhibitor with anti-tumor activity. It can inhibit the binding of BODIPY cyclopamine to SMO in a dose-dependent manner with an IC50 of 21 nM.
PubChem ID137523206
MDL NumberMFCD25976660
SMILESCNCc1ccc(C)c(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4ccccc4n3)cc2)c1
InChIInChI=1S/C30H27N5O/c1-20-12-13-21(19-31-2)18-27(20)33-29(36)23-14-16-24(17-15-23)32-30-34-26-11-7-6-10-25(26)28(35-30)22-8-4-3-5-9-22/h3-18,31H,19H2,1-2H3,(H,33,36)(H,32,34,35)
InChI KeyKLRRGBHZCJLIEL-UHFFFAOYSA-N
Transport InfoProduct name: BMS-833923
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