Structure

Bi 2536

CAS
755038-02-9
Catalog Number
ACM755038029
Category
Inhibitors
Molecular Weight
521.662
Molecular Formula
C28H39N7O3

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Specification

Description
BI 2536 is a dual PLK1 and BRD4 inhibitor with IC50s of 0.83 and 25 nM, respectively. BI-2536 suppresses IFNB (encoding IFN-β) gene transcription.
Synonyms
BI 2536;BI-2536, BoehringerPLK-1 inhibitor;4-[[(7R)-8-Cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide;Benzamide,4-[[(7R)-8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-;Boehringer PLK-1 inhibitor;BI-2536(R-);BI2536/BI-2536;(R)-4-((8-cyclopentyl-7-ethyl-5-Methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)aMino)-3-Methoxy-N-(1-Methylpiperidin-4-yl)benzaMide
Density
1.28
What is the molecular formula of BI 2536?

The molecular formula of BI 2536 is C28H39N7O3.

When was BI 2536 first created?

BI 2536 was first created on October 26, 2006.

What is the molecular weight of BI 2536?

The molecular weight of BI 2536 is 521.7 g/mol.

What is the IUPAC name of BI 2536?

The IUPAC name of BI 2536 is 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide.

What is the InChIKey of BI 2536?

The InChIKey of BI 2536 is XQVVPGYIWAGRNI-JOCHJYFZSA-N.

What is the canonical SMILES of BI 2536?

The canonical SMILES of BI 2536 is CCC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C.

What is the CAS number of BI 2536?

The CAS number of BI 2536 is 755038-02-9.

What is the ChEMBL ID of BI 2536?

The ChEMBL ID of BI 2536 is CHEMBL513909.

How many hydrogen bond acceptors does BI 2536 have?

BI 2536 has 8 hydrogen bond acceptors.

What is the topological polar surface area of BI 2536?

The topological polar surface area of BI 2536 is 103 Å2.

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