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Product Overview

Product Code

TRC-M425115

CAS Number

1028486-01-2

Product Format

Neat

Molecular Formula

C27 H20 Cl F N4 O4

Molecular Weight

518.9235

Product Categories

TRC, Enzyme inhibitors, Kinase Modulators, Chiral catalysts, ligands, & reagents

Product Type

Synthesis Tools

Documentation

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Product Information

Chemical Data

Analyte Name

Alisertib

CAS Number

1028486-01-2

Molecular Formula

C27 H20 Cl F N4 O4

Molecular Weight

518.9235

Accurate Mass

518.1157

SMILES

COc1cccc(F)c1C2=NCc3cnc(Nc4ccc(C(=O)O)c(OC)c4)nc3c5ccc(Cl)cc25

InChI

InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)

IUPAC

4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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MLN 8237 (Contain 10% DMSO)

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