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Chemical structure of PLK1/BRD4-IN-2

GC73884

PLK1/BRD4-IN-2

Also known as (7R)-2-[4-(azepane-1-carbonyl)-2-methoxyanilino]-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one

PLK1/BRD4-IN-2 (compound 15) is a BI-2536 analog and dual inhibitor that targets both Polo-like kinase 1 (PLK1) and BRD4bromodomain (BRD4-BD1 IC50=28 nM, PLK1 IC50=40 nM)

ChemicalCAS2251709-89-2MW492.61FormulaC27H36N6O3
CAS number
2251709-89-2
Molecular weight
492.61
Formula
C27H36N6O3
Solubility
DMSO ： 10 mg/mL (20·30 mM; ultrasonic and warming and heat to 60°C)
InChIKey
WHCFLSAKSTZDQY-GOSISDBHSA-N
Catalogue number
GC73884
Brand
GLPBIO
Computed properties PubChem CID 171391380 · XLogP 4 · TPSA 90.9 Ų · H-bond donors 1
XLogP
4
TPSA
90.9 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
36

SMILES C[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)N5CCCCCC5)OC)C

Computed descriptors from PubChem (CID 171391380), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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