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ML132 - 98%, high purity , CAS No.1230628-71-3

COA

Grade & Purity:

≥98%

Cas Number: 1230628-71-3
Molecular Weight: 477.94
PubChem CID: 44620939

In stock

Item Number

M649371

Grouped product items
SKU	Size	Availability	Price
M649371-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$450.90
M649371-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$750.90
M649371-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,250.90
M649371-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,350.90

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Apoptosis (4276) Caspase (131) Intrinsic Pathway (690)

Basic Description

Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	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.
Storage Temp	Protected from light,Argon charged,Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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 )

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Peptidomimetics
    - Subclass Hybrid peptides

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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(3S)-3-[[(2S)-1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-cyanopropanoic acid
INCHI	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
InChIKey	KENKPOUHXLJLEY-QANKJYHBSA-N
Smiles	CC(C)(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C#N)NC(=O)C2=CC(=C(C=C2)N)Cl
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

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

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 Å²
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

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