≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Argon charged,Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
ML132 (NCGC-00183434) is a selective caspase 1 inhibitor with an IC 50 of 34.9 nM. ML132 shows good stability that can be utilized as molecular probes of caspase 1 . ML132 can be used for research in the field of anti-cancer and anti-inflammatory
Form:Solid
IC50& Target:Caspase-1 34.9 nM (IC 50 ) Caspase-4 1.27 μM (IC 50 ) Caspase-5 0.85 μM (IC 50 ) Caspase-8 4.18 μM (IC 50 ) Caspase-9 2.85 μM (IC 50 )
| Canonical Smiles | CC(C)(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C#N)NC(=O)C2=CC(=C(C=C2)N)Cl |
|---|---|
| IUPAC Name | (3S)-3-[[(2S)-1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-cyanopropanoic acid |
| InChIKey | KENKPOUHXLJLEY-QANKJYHBSA-N |
| 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 |
| Isomeric SMILES | CC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C#N)NC(=O)C2=CC(=C(C=C2)N)Cl |
| PubChem CID | 44620939 |
| Molecular Weight | 477.94 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Peptidomimetics |
| Subclass | Hybrid peptides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hybrid peptides |
| Alternative Parents | Dipeptides Valine and derivatives Hippuric acids and derivatives Proline and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Beta amino acids and derivatives 3-halobenzoic acids and derivatives Aminobenzamides Benzoyl derivatives Pyrrolidinecarboxamides Aniline and substituted anilines N-acylpyrrolidines Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Primary amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hybrid peptide - Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Proline or derivatives - Valine or derivatives - Alpha-amino acid amide - Beta amino acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Aminobenzoic acid or derivatives - Aminobenzamide - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Benzoyl - Aniline or substituted anilines - N-acylpyrrolidine - Pyrrolidine-2-carboxamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Hydrocarbon derivative - Amine - Organochloride - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organopnictogen compound - Organic oxide - Primary amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. |
| External Descriptors | Not available |
| Solubility | DMSO : 250 mg/mL (523.08 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 477.900 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 477.178 Da |
| Monoisotopic Mass | 477.178 Da |
| Topological Polar Surface Area | 166.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 820.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
