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Chemical structure of AMG-176

GC19452

AMG-176

Also known as (3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13lambda6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one

AMG-176 (Tapotoclax) is a potent, selective and orally active MCL-1 inhibitor, with a Ki of 0·13 nM

ChemicalCAS1883727-34-1MW613.21FormulaC33H41ClN2O5S
CAS number
1883727-34-1
Molecular weight
613.21
Formula
C33H41ClN2O5S
Solubility
Soluble in DMSO
InChIKey
JQNINBDKGLWYMU-GEAQBIRJSA-N
Catalogue number
GC19452
Brand
GLPBIO
Computed properties PubChem CID 118910268 · XLogP 6.8 · TPSA 93.3 Ų · H-bond donors 1
XLogP
6.8
TPSA
93.3 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
42

SMILES C[C@H]1C/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCC5=C4C=CC(=C5)Cl)COC6=C3C=C(C=C6)C(=O)NS(=O)(=O)[C@@H]1C)OC

Computed descriptors from PubChem (CID 118910268), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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