AT406 (SM-406)

cas: 1071992-99-8 — see every product listed under this CAS number, including other names

AT406 (SM-406) (CAS 1071992-99-8) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, 25mg, 100mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberWSB99299-5mg
cas1071992-99-8
size5mg
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properties

categoryLife Sciences
sub-category 1Ligands
purityNo data
delivery time3-4 weeks
Structural formula: {0} (CAS {1})

(5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide (CAS 1071992-99-8) is a chemical compound with the molecular formula C32H43N5O4 and a molecular weight of 561.7 g/mol. IUPAC name: (5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide. InChIKey: LSXUTRRVVSPWDZ-MKKUMYSQSA-N.

Identity
Molecular formulaC32H43N5O4
Molecular weight561.7 g/mol
IUPAC name(5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
InChIKeyLSXUTRRVVSPWDZ-MKKUMYSQSA-N
SMILESC[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(C)C)NC

Computed by PubChem (NCBI)

Synonyms: Xevinapant, Debio 1143, Debio-1143, Iap inhibitor AT-406, SMAC Mimetic Debio 1143, IAPs Inhibitor Debio 1143, IAPs Antagonist Debio 1143, Second Mitochondrial-derived Activator of Caspases Mimetic Debio 1143, Debio1143, Xevinapant [INN]
Isomers (same molecular formula)
(5S,8S,10aR)-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-N-[(2-phenylphenyl)methyl]-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide C32H43N5O4

Also listed as

Xevinapant/ 99.77% (existing batch purity) TargetMol CAS 1071992-99-8
AT–406 (SM–406) GLPBio CAS 1071992-99-8
Xevinapant, 99.91% MedChemExpress CAS 1071992-99-8
Xevinapant, 98% Ambeed CAS 1071992-99-8
(5S,8S,10aR)-N-(Diphenylmethyl)decahydro-5-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-3-(3-methyl-1-oxobutyl)-6-oxopyrrolo[1,2-a][1,5]diazocine-8-carboxamide, 98% Chemat CAS 1071992-99-8
(5S,8S,10aR)-N-Benzhydryl-5-((S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide, 98% BLDpharm CAS 1071992-99-8