MedKoo Cat#: 406364 | Name: ML-132

Description:

WARNING: This product is for research use only, not for human or veterinary use.

ML132, also known as CID-4462093 or NCGC-00183434, is the most potent caspase 1 inhibitor reported to date. It also possesses a unique selectivity pattern relative to other reported caspase inhibitors.

Chemical Structure

ML-132
ML-132
CAS#1230628-71-3

Theoretical Analysis

MedKoo Cat#: 406364

Name: ML-132

CAS#: 1230628-71-3

Chemical Formula: C22H28ClN5O5

Exact Mass: 477.1779

Molecular Weight: 477.94

Elemental Analysis: C, 55.29; H, 5.90; Cl, 7.42; N, 14.65; O, 16.74

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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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
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).
HS Tariff Code
2934.99.9001
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Preparing Stock Solutions

The following data is based on the product molecular weight 477.94 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
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