Dansylglutamyl-glycyl-arginine chloromethyl ketone - ≥95% , CAS No.69024-84-6

CAS: 69024-84-6 Cat. No.: D1291811 PubChem CID: 122261

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)CCl
• IUPAC Name: (4S)-5-[[2-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-2-oxoethyl]amino]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxopentanoic acid
• InChIKey: LDMSFLLWFAFZAF-OALUTQOASA-N
• INCHI: 1S/C26H36ClN7O7S/c1-34(2)20-9-3-7-17-16(20)6-4-10-22(17)42(40,41)33-19(11-12-24(37)38)25(39)31-15-23(36)32-18(21(35)14-27)8-5-13-30-26(28)29/h3-4,6-7,9-10,18-19,33H,5,8,11-15H2,1-2H3,(H,31,39)(H,32,36)(H,37,38)(H4,28,29,30)/t18-,19-/m0/s1
• Isomeric SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)CCl
• Alternate CAS: 69024-84-6
• PubChem CID: 122261
• MeSH Entry Terms: 1,5-dansyl-L-glutamylglycyl-L-arginine chloromethyl ketone;5-dimethylaminonaphthalene-1-sulfonylglutamyl-glycyl-arginine chloromethyl ketone;dansyl-GGACK;dansyl-Glu-Gly-Arg-chloromethyl ketone;dansylglutamyl-glycyl-arginine chloromethyl ketone;DGGACMK;EGR

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 Dipeptides

• 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: Dipeptides
• Alternative Parents: Glutamic acid and derivatives 1-naphthalene sulfonamides 1-naphthalene sulfonic acids and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Dialkylarylamines Organosulfonamides N-acyl amines Alpha-chloroketones Aminosulfonyl compounds Secondary carboxylic acid amides Amino acids Guanidines Carboxylic acids Carboximidamides Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxides Organochlorides Organopnictogen compounds Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Alpha-dipeptide - Glutamic acid or derivatives - 1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Naphthalene - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Organosulfonic acid amide - Benzenoid - Fatty acyl - Fatty amide - N-acyl-amine - Organic sulfonic acid or derivatives - Sulfonyl - Alpha-chloroketone - Alpha-haloketone - Organosulfonic acid or derivatives - Aminosulfonyl compound - Amino acid or derivatives - Carboxamide group - Guanidine - Ketone - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl chloride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Alkyl halide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organohalogen compound - Organochloride - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by 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

• Molecular Weight: 626.100 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 17
• Exact Mass: 625.209 Da
• Monoisotopic Mass: 625.209 Da
• Topological Polar Surface Area: 235.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1080.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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