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Chemical structure of CHD1Li 6·11

GC64581

CHD1Li 6·11

Also known as 2-(4-bromothiophen-2-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide

CHD1Li 6·11 is a potent oncogenic CHD1L inhibitor (IC50=3·3 ?M for cat-CHD1L recombinant protein)· CHD1Li 6·11 is an orally bioavailable antitumor agent, significantly reducing the tumor volume of CRC xenografts generated from isolated quasi mesenchymal cells (M-phenotype), which possess enhanced tumorigenic properties

ChemicalCAS2716890-91-2MW472.4FormulaC21H22BrN5OS
CAS number
2716890-91-2
Molecular weight
472.4
Formula
C21H22BrN5OS
Solubility
DMSO ： 100 mg/mL (211·69 mM; Need ultrasonic)
InChIKey
ACDZBXZERLBYOW-UHFFFAOYSA-N
Catalogue number
GC64581
Brand
GLPBIO
Computed properties PubChem CID 156868176 · XLogP 4.6 · TPSA 98.4 Ų · H-bond donors 2
XLogP
4.6
TPSA
98.4 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29

SMILES CC1=CC(=NC(=N1)N2CCCC2)NC3=CC=C(C=C3)NC(=O)CC4=CC(=CS4)Br

Computed descriptors from PubChem (CID 156868176), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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