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Chemical structure of AZD5582

GC19050

AZD5582

Also known as (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1S,2R)-2-[6-[[(1S,2R)-1-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]oxy]hexa-2,4-diynoxy]-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide

AZD5582 is a novel class of dimeric Smac mimetics as potent IAP antagonist; binds potently to the BIR3 domains of cIAP1, cIAP2, and XIAP (IC50 = 15, 21, and 15 nM, respectively)

ChemicalCAS1258392-53-8MW1015.29FormulaC58H78N8O8
CAS number
1258392-53-8
Molecular weight
1015.29
Formula
C58H78N8O8
Solubility
DMSO ： ≥ 66·25 mg/mL (65·25 mM)
InChIKey
WLMCRYCCYXHPQF-ZVMUOSSASA-N
Catalogue number
GC19050
Brand
GLPBIO
Computed properties PubChem CID 49847690 · XLogP 5.9 · TPSA 200 Ų · H-bond donors 6
XLogP
5.9
TPSA
200 Ų
H-bond donors
6
H-bond acceptors
10
Rotatable bonds
19
Heavy atoms
74

SMILES C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)OCC#CC#CCO[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC

Computed descriptors from PubChem (CID 49847690), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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