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Chemical structure of Marinopyrrole A

GC15480

Marinopyrrole A

Also known as [4,5-dichloro-1-[4,5-dichloro-2-(2-hydroxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]-(2-hydroxyphenyl)methanone

Marinopyrrole A (Marinopyrrole A) is a novel and specific Mcl-1 inhibitor with an IC50 value of 10·1 μM, and shows >8 fold selectivity than BCL-xl (IC50 > 80 μM)

ChemicalCAS1227962-62-0MW510.15FormulaC22H12Cl4N2O4
CAS number
1227962-62-0
Molecular weight
510.15
Formula
C22H12Cl4N2O4
Solubility
Soluble in DMSO
InChIKey
QYPJBTMRYKRTFG-UHFFFAOYSA-N
Catalogue number
GC15480
Brand
GLPBIO
Computed properties PubChem CID 24797083 · XLogP 8 · TPSA 95.3 Ų · H-bond donors 3
XLogP
8
TPSA
95.3 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
32

SMILES C1=CC=C(C(=C1)C(=O)C2=CC(=C(N2C3=C(NC(=C3Cl)Cl)C(=O)C4=CC=CC=C4O)Cl)Cl)O

Computed descriptors from PubChem (CID 24797083), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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