Amastatin hydrochloride - Moligand™,≥98% , CAS No.100938-10-1

CAS: 100938-10-1 Cat. No.: A275547 Molecular Weight: 511.01 EC Number: 805-363-6 PubChem CID: 180936

GRADE & PURITY Moligand™, ≥98%

Synonyms

HY-115194 | Amastatin HCl | J-000280 | N-[2-({2-[(3-Amino-1,2-dihydroxy-5-methylhexylidene)amino]-1-hydroxy-3-methylbutylidene}amino)-1-hydroxy-3-methylbutylidene]aspartic acid--hydrogen chloride (1/1) | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydrox

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Amastatin hydrochloride is a slow, tight binding, competitive aminopeptidase (AP) inhibitor with Ki values of 0.26 nM, 30 nM, 52 nM for Aeromonas aminopeptidase, cytosolic leucine aminopeptidase, microsomal aminopeptidase

Specifications

Synonyms

HY-115194 | Amastatin HCl | J-000280 | N-[2-({2-[(3-Amino-1, 2-dihydroxy-5-methylhexylidene)amino]-1-hydroxy-3-methylbutylidene}amino)-1-hydroxy-3-methylbutylidene]aspartic acid--hydrogen chloride (1/1) | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S, 3R)-3-amino-2-hydrox

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Competitive inhibitor of aminopeptidase A (K i = 1.9 μM) and M, leucine aminopeptidase (LAP3) and tyrosine aminopeptidase. Shows no activity at aminopeptidase B. Prolongs effects of Vasotocin and oxytocin.

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one week. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)CC(C(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)O)O)N.Cl
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid;hydrochloride
• InChIKey: GBDUPCKQTDKNLS-PORDUOSCSA-N
• INCHI: 1S/C21H38N4O8.ClH/c1-9(2)7-12(22)17(28)20(31)25-16(11(5)6)19(30)24-15(10(3)4)18(29)23-13(21(32)33)8-14(26)27;/h9-13,15-17,28H,7-8,22H2,1-6H3,(H,23,29)(H,24,30)(H,25,31)(H,26,27)(H,32,33);1H/t12-,13+,15+,16+,17+;/m1./s1
• Isomeric SMILES: CC(C)C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)O)N.Cl
• PubChem CID: 180936
• Molecular Weight: 511.01

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: Aspartic acid and derivatives Valine and derivatives N-acyl-L-alpha-amino acids Acyl L-homoserines Alpha amino acid amides Beta amino acids and derivatives Hydroxy fatty acids Branched fatty acids N-acyl amines Monosaccharides Dicarboxylic acids and derivatives Secondary carboxylic acid amides Secondary alcohols Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hybrid peptide - Aspartic acid or derivatives - Valine or derivatives - N-acyl-l-alpha-amino acid - Acyl-l-homoserine - Acyl-homoserine - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Beta amino acid or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Hydroxy fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - N-acyl-amine - Monosaccharide - Fatty amide - Dicarboxylic acid or derivatives - Amino acid - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alcohol - Aliphatic acyclic 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

Data sources

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

Chemical and Physical Properties

• Solubility: Soluble in water and ethanol
• Sensitivity: Light sensitive
• Molecular Weight: 511.000 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 14
• Exact Mass: 510.246 Da
• Monoisotopic Mass: 510.246 Da
• Topological Polar Surface Area: 208.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 710.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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: 2

XLogP3