MedKoo Cat#: 406364 Name: ML-132 CAS#: 1230628-71-3 Chemical Formula: C22H28ClN5O5 Exact Mass: 477.1779 Molecular Weight: 477.94122 Elemental Analysis: C, 55.29; H, 5.90; Cl, 7.42; N, 14.65; O, 16.74
Synonym: ML132; ML 132; ML-132; CID-4462093; CID4462093;CID 4462093; NCGC00183434; NCGC 00183434; NCGC-00183434.
IUPAC/Chemical Name: (S)-3-((S)-1-((S)-2-(4-amino-3-chlorobenzamido)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxamido)-3-cyanopropanoic acid
InChi Key: KENKPOUHXLJLEY-QANKJYHBSA-N
InChi Code: InChI=1S/C22H28ClN5O5/c1-22(2,3)18(27-19(31)12-6-7-15(25)14(23)9-12)21(33)28-8-4-5-16(28)20(32)26-13(11-24)10-17(29)30/h6-7,9,13,16,18H,4-5,8,10,25H2,1-3H3,(H,26,32)(H,27,31)(H,29,30)/t13-,16-,18+/m0/s1
SMILES Code: O=C(O)C[C@H](NC([C@H]1N(C([C@@H](NC(C2=CC=C(N)C(Cl)=C2)=O)C(C)(C)C)=O)CCC1)=O)C#N
Technical Data
Appearance: white solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
Harmonized System Code: 293490
Additional Information
References
1: Boxer MB, Shen M, Auld DS, Wells JA, Thomas CJ. A small molecule inhibitor of Caspase 1. 2010 Feb 25 [updated 2011 Mar 3]. Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010-. Available from http://www.ncbi.nlm.nih.gov/books/NBK56241/PubMed PMID: 21735610. or
http://www.ncbi.nlm.nih.gov/pubmed/21735610
