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Chemical structure of S55746 (BLC201)

GC32947

S55746 (BLC201)

Also known as N-(4-hydroxyphenyl)-3-[6-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide

S55746 (BLC201) (BCL201) is a potent, orally active and selective BCL-2 inhibitor, with a Ki of 1·3 nM and a Kd of 3·9 nM· S55746 (BLC201) (BCL201) has antitumor activity with low toxicity

ChemicalCAS1448584-12-0MW710.82FormulaC43H42N4O6
CAS number
1448584-12-0
Molecular weight
710.82
Formula
C43H42N4O6
Solubility
DMSO : 50 mg/mL (70·34 mM);Water : < 0·1 mg/mL (insoluble)
InChIKey
VYXJULKGMXJVGI-XIFFEERXSA-N
Catalogue number
GC32947
Brand
GLPBIO
Computed properties PubChem CID 71654876 · XLogP 5.8 · TPSA 96.7 Ų · H-bond donors 1
XLogP
5.8
TPSA
96.7 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
53

SMILES C1CCN2C(=C(C=C2C3=CC4=C(C=C3C(=O)N5CC6=CC=CC=C6C[C@H]5CN7CCOCC7)OCO4)C(=O)N(C8=CC=CC=C8)C9=CC=C(C=C9)O)C1

Computed descriptors from PubChem (CID 71654876), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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