Cathepsin G substrate - ≥95% , CAS No.70967-91-8

CAS: 70967-91-8 Cat. No.: C275083 Molecular Weight: 622.69 PubChem CID: 4549509

GRADE & PURITY ≥95%

Synonyms

methyl 4-[[1-[[1-[2-[[4-methylsulfanyl-1-(4-nitroanilino)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate | DTXSID20404147 | N-Methoxysuccinyl-Ala-Ala-Pro-Met p-nitroanilide | N-Methoxysuccinyl-Ala

Storage

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

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

methyl 4-[[1-[[1-[2-[[4-methylsulfanyl-1-(4-nitroanilino)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate | DTXSID20404147 | N-Methoxysuccinyl-Ala-Ala-Pro-Met p-nitroanilide | N-Methoxysuccinyl-Ala

Specifications & Purity

≥95%

Storage

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

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCSC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCC(=O)OC
• IUPAC Name: methyl 4-[[1-[[1-[2-[[4-methylsulfanyl-1-(4-nitroanilino)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate
• InChIKey: LUUQUDLEABXXQL-UHFFFAOYSA-N
• INCHI: 1S/C27H38N6O9S/c1-16(28-22(34)11-12-23(35)42-3)24(36)29-17(2)27(39)32-14-5-6-21(32)26(38)31-20(13-15-43-4)25(37)30-18-7-9-19(10-8-18)33(40)41/h7-10,16-17,20-21H,5-6,11-15H2,1-4H3,(H,28,34)(H,29,36)(H,30,37)(H,31,38)
• Isomeric SMILES: CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCSC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCC(=O)OC
• PubChem CID: 4549509
• Molecular Weight: 622.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Methionine and derivatives Proline and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives Anilides Nitrobenzenes Pyrrolidinecarboxamides N-acylpyrrolidines N-arylamides Nitroaromatic compounds Fatty acid methyl esters N-acyl amines Methyl esters Tertiary carboxylic acid amides Secondary carboxylic acid amides Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Azacyclic compounds Sulfenyl compounds Organic salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-oligopeptide - Methionine or derivatives - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Nitrobenzene - Anilide - Nitroaromatic compound - Pyrrolidine carboxylic acid or derivatives - N-arylamide - Pyrrolidine-2-carboxamide - N-acylpyrrolidine - Fatty acid methyl ester - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - N-acyl-amine - Methyl ester - Pyrrolidine - Tertiary carboxylic acid amide - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Dialkylthioether - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxoazanium - Thioether - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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 DMSO
• Sensitivity: Air sensitive;Light sensitive
• Molecular Weight: 622.700 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 15
• Exact Mass: 622.242 Da
• Monoisotopic Mass: 622.242 Da
• Topological Polar Surface Area: 234.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 1030.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1