CAS No. 1071992-99-8

Molecular Formula: C32H43N5O4
Molecular Weight: 561.71492
UN Number: 3077
HS Code: 29339900

Description:
AT-406 is a potent Smac mimetic and an antagonist of IAP (inhibitor of apoptosis protein via E3 ubiquitin ligase), binding to XIAP-BIR3 (with Ki of 66.4 nM), cIAP1-BIR3(with Ki of 1.9 nM) and cIAP2-BIR3 (with Ki of 5.1 nM), respectively.

• Molecular Weight: 561.71
• Molecular Formula: C32H43N5O4

Purity: >98%

Canonical SMILES:
CC(C)CC(=O)N1CCC2CCC(N2C(=O)C(C1)NC(=O)C(C)NC)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI:
InChI=1S/C32H43N5O4/c1-21(2)19-28(38)36-18-17-25-15-16-27(37(25)32(41)26(20-36)34-30(39)22(3)33-4)31(40)35-29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,21-22,25-27,29,33H,15-20H2,1-4H3,(H,34,39)(H,35,40)/t22-,25+,26-,27-/m0/s1

InChIKey: LSXUTRRVVSPWDZ-MKKUMYSQSA-N

• Appearance: Solid Powder

Synonyms:
AT406; AT 406; SM-406; SM 406; SM406; ARRY-334543; ARRY 334543; ARRY334543

More details are to be found on supplier website

Smile code:
O=C([C@@H]1CC[C@@](CCN(C(CC(C)C)=O)C[C@@H]2NC([C@@H](NC)C)=O)([H])N1C2=O)NC(C3=CC=CC=C3)C4=CC=CC=C4
MDL Number:
MFCD22124467
Purity :
98%
Available in stock:
10.043 g