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Substance Name: AT-406
RN: 1071992-99-8
InChIKey: LSXUTRRVVSPWDZ-MKKUMYSQSA-N

Notes

  • Inhibits inhibitor of apoptosis proteins; in phase I clinical trials (2011) as an antineoplastic agent.
  • Inhibits inhibitor of apoptosis proteins; in phase I clinical trials (2011) as an antineoplastic agent

    NCI: An orally bioavailable inhibitor of IAP (Inhibitor of Apoptosis Protein) family of proteins with potential apoptotic inducing and antineoplastic activity. IAP inhibitor AT-406 selectively inhibits the biological activity of IAP proteins, including X chromosome-linked IAP (XIAP), the cellular IAPs 1 (c-IAP1) and 2 (c-IAP2) and melanoma inhibitor of apoptosis protein (ML-IAP). This may restore and promote the induction of apoptosis through apoptotic signaling pathways. AT-406 may work synergistically with cytotoxic drugs to overcome tumor cell resistance to apoptosis. IAPs are overexpressed by many cancer cell types, suppressing apoptosis by binding and inhibiting active caspases-3, -7 and -9 via their BIR (baculoviral lAP repeat) domains. (NCI Thesaurus)

Molecular Formula

  • C32-H43-N5-O4

Molecular Weight

  • 561.7227
 
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Names and Synonyms

Name of Substance

  • AT-406

Synonyms

  • AT 406
  • AT406
  • D 1143
  • Debio 1143
  • N65WC8PXDD
  • SM 406
  • UNII-N65WC8PXDD

Systematic Name

  • (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

Registry Numbers

CAS Registry Number

  • 1071992-99-8

System Generated Number

  • 1071992998

Structure Descriptors

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

Smiles

CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)C(=O)CC(C)C