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AZD5582 acetate

* Please kindly note that our products are not to be used for therapeutic purposes and cannot be sold to patients.

AZD5582 acetate is a potent IAP inhibitor that binds potently to the BIR3 domains of cIAP1, cIAP2, and XIAP (IC50 = 15, 21, and 15 nM, respectively). It causes cIAP1 degradation and induces apoptosis in the MDA-MB-231 breast cancer cell line at subnanomolar concentrations in vitro.

Category

Peptide Inhibitors

Catalog number

BAT-016330

Molecular Formula

C60H82N8O10

Molecular Weight

1075.36

Specification

IUPAC Name

acetic acid;(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

Synonyms

AZD 5582 acetate; AZD-5582 acetate; 3,3'-[2,4-Hexadiyne-1,6-diylbis[oxy[(1S,2R)-2,3-dihydro-1H-indene-2,1-diyl]]]bis[N-methyl-L-alanyl-(2S)-2-cyclohexylglycyl-L-prolinamide] acetate

Related CAS

1258392-53-8 (free base)

Purity

≥95%

Storage

Store at -20°C

Solubility

Soluble in DMSO

InChI

InChI=1S/C58H78N8O8.C2H4O2/c1-37(59-3)53(67)61-49(39-21-9-7-10-22-39)57(71)65-31-19-29-45(65)55(69)63-51-43-27-15-13-25-41(43)35-47(51)73-33-17-5-6-18-34-74-48-36-42-26-14-16-28-44(42)52(48)64-56(70)46-30-20-32-66(46)58(72)50(40-23-11-8-12-24-40)62-54(68)38(2)60-4;1-2(3)4/h13-16,25-28,37-40,45-52,59-60H,7-12,19-24,29-36H2,1-4H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70);1H3,(H,3,4)/t37-,38-,45-,46-,47+,48+,49-,50-,51-,52-;/m0./s1

InChI Key

PGGNYMREKQXBTI-JSNQJABKSA-N

Canonical SMILES

CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NC3C(CC4=CC=CC=C34)OCC#CC#CCOC5CC6=CC=CC=C6C5NC(=O)C7CCCN7C(=O)C(C8CCCCC8)NC(=O)C(C)NC)NC.CC(=O)O