(5S,8S,10aR)-N-(Diphenylmethyl)-5-[(N-methyl-L-alanyl)amino]-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide | CAS No. 1071992-99-8

(5S,8S,10aR)-N-(Diphenylmethyl)-5-[(N-methyl-L-alanyl)amino]-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide

Basic Information

CAS Number

1071992-99-8

Molecular Formula

C32H43N5O4

Molecular Weight

561.73 g/mol

AD

Basic Physical Properties

CN[C@H](C(=O)N[C@H]1CN(CC[C@@H]2N(C1=O)[C@@H](CC2)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CC(C)C)C

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

LogP

2.622900000000004

Topological Polar Surface Area

110.85 Ų

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

896

Synonyms & References

English

  • AT-406
  • (5S,8S,10aR)-N-benzhydryl-5-((S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-cArboxamide
  • (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
  • AT406 (SM-406)
  • SM 406
  • QCR-136
  • (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
  • AT406
  • AT 406
  • N65WC8PXDD
  • (5S,8S,10aR)-N-(Diphenylmethyl)-5-[(N-methyl-L-alanyl)amino]-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
  • (5S,8S,10aR)-N-(Diphenylmethyl)decahydro-5-(((2S)-2-(methylamino)-1-oxopropyl)amino)-3
  • Debio 1143
  • GTPL7729
  • SM406
  • Xevinapant

MDL Number

MFCD22124467

FAQ

What regulatory guidelines apply to (5S,8S,10aR)-N-(Diphenylmethyl)-5-[(N-methyl-L-alanyl)amino]-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide (CAS: 1071992-99-8)?

This compound should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for classification and labelling. It is also subject to the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulations in the EU and may require notification under the Toxic Substances Control Act (TSCA) in the USA. FDA and EPA regulations may also apply, depending on its intended use and manufacture.

Are there alternatives to (5S,8S,10aR)-N-(Diphenylmethyl)-5-[(N-methyl-L-alanyl)amino]-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide (CAS: 1071992-99-8) in synthesis?

Alternatives to this compound in synthesis include similar diazocine derivatives, such as (5S,8S,10aR)-N-(Diphenylmethyl)-5-[(N-ethyl-L-alanyl)amino]-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide. Other substitute reagents like N-methyl-L-alanine can also be used, depending on the specific requirements of the synthesis.

What is the market or research trend for (5S,8S,10aR)-N-(Diphenylmethyl)-5-[(N-methyl-L-alanyl)amino]-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide (CAS: 1071992-99-8)?

Research trends for this compound are likely focused on its potential applications in medicinal chemistry, particularly as a bioactive compound. Market trends suggest growing interest in its use as an intermediate in drug discovery and development, driven by its unique chemical structure and biological properties.

How should waste containing (5S,8S,10aR)-N-(Diphenylmethyl)-5-[(N-methyl-L-alanyl)amino]-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide (CAS: 1071992-99-8) be handled?

Waste containing this compound should be collected in appropriate containers and disposed of according to local and international hazardous waste regulations. Incineration or professional waste disposal services are recommended. Environmental protection measures should include proper containment to prevent spills and ensure worker safety during handling and disposal.

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