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Chemical structure of Mcl-1 inhibitor 6

GC66017

Mcl-1 inhibitor 6

Also known as 4-(4-acetylphenyl)sulfonyl-1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-3,5-dimethylpyrrole-2-carboxylic acid

Mcl-1 inhibitor 6 is an orally active, selective myeloid cell leukemia 1 (Mcl-1) protein inhibitor with a Kd of 0·23 nM and a Ki of 0·02 μM· Mcl-1 inhibitor 6 possesses superior selectivity over other Bcl-2 family members (Bcl-2, Bcl2A1, Bcl-xL, and Bcl-w, Kd>10 μM)· Mcl-1 inhibitor 6 is a potent antitumor agent

ChemicalCAS2598978-56-2MW518.02FormulaC26H28ClNO6S
CAS number
2598978-56-2
Molecular weight
518.02
Formula
C26H28ClNO6S
Solubility
DMSO ： 100 mg/mL (193·04 mM; ultrasonic and warming and heat to 60°C)
InChIKey
MKUKBCVJQXCFKM-UHFFFAOYSA-N
Catalogue number
GC66017
Brand
GLPBIO
Computed properties PubChem CID 159595604 · XLogP 5.1 · TPSA 111 Ų · H-bond donors 1
XLogP
5.1
TPSA
111 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
35

SMILES CC1=CC(=CC(=C1Cl)C)OCCCN2C(=C(C(=C2C(=O)O)C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)C

Computed descriptors from PubChem (CID 159595604), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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