poststatin - Moligand™ , Inhibitor of cathepsin B;Inhibitor of elastase; neutrophil expressed;Inhibitor of prolyl endopeptidase, CAS No.135219-43-1, Inhibitor of cathepsin B;Inhibitor of elastase; neutrophil expressed;Inhibitor of prolyl endopeptidase

CAS: 135219-43-1 Cat. No.: P612899 PubChem CID: 164380

GRADE & PURITY Moligand™

Synonyms

DTXSID10928908 | Poststatin | Valyl-valyl-3-amino-2-oxovaleryl-leucyl-valine | GTPL10967 | (2S)-2-[[(2R)-2-[[(3S)-3-amino-2-oxopentanoyl]amino]-4-methylpentanoyl]-[(2S,6S)-2,6-diamino-3,7-dimethyl-5-oxooctanoyl]amino]-3-methylbutanoic acid | N-(3-Amino-2-

Storage

Room temperature

Specifications

Synonyms

DTXSID10928908 | Poststatin | Valyl-valyl-3-amino-2-oxovaleryl-leucyl-valine | GTPL10967 | (2S)-2-[[(2R)-2-[[(3S)-3-amino-2-oxopentanoyl]amino]-4-methylpentanoyl]-[(2S, 6S)-2, 6-diamino-3, 7-dimethyl-5-oxooctanoyl]amino]-3-methylbutanoic acid | N-(3-Amino-2-

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of cathepsin B;Inhibitor of elastase; neutrophil expressed;Inhibitor of prolyl endopeptidase

Names and Identifiers

• Canonical Smiles: CC[C@@H](C(=O)C(=O)N[C@@H](C(=O)N(C(=O)[C@H](C(CC(=O)[C@H](C(C)C)N)C)N)[C@H](C(=O)O)C(C)C)CC(C)C)N
• IUPAC Name: (2S)-2-[[(2R)-2-[[(3S)-3-amino-2-oxopentanoyl]amino]-4-methylpentanoyl]-[(2S,6S)-2,6-diamino-3,7-dimethyl-5-oxooctanoyl]amino]-3-methylbutanoic acid
• InChIKey: UNPBSZUDTFBULK-CZCKBYKRSA-N
• INCHI: 1S/C26H47N5O7/c1-9-16(27)22(33)23(34)30-17(10-12(2)3)24(35)31(21(14(6)7)26(37)38)25(36)20(29)15(8)11-18(32)19(28)13(4)5/h12-17,19-21H,9-11,27-29H2,1-8H3,(H,30,34)(H,37,38)/t15?,16-,17+,19-,20-,21-/m0/s1
• Isomeric SMILES: CC[C@@H](C(=O)C(=O)N[C@H](CC(C)C)C(=O)N([C@@H](C(C)C)C(=O)O)C(=O)[C@H](C(C)CC(=O)[C@H](C(C)C)N)N)N
• PubChem CID: 164380

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: Leucine and derivatives Valine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Methyl-branched fatty acids N-substituted carboxylic acid imides N-acyl amines Gamma-amino ketones Dicarboximides Alpha-amino ketones Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - Leucine or derivatives - Valine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid or derivatives - Methyl-branched fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Carboxylic acid imide, n-substituted - N-acyl-amine - Gamma-aminoketone - Fatty amide - Dicarboximide - Carboxylic acid imide - Alpha-aminoketone - Amino acid - Secondary carboxylic acid amide - Ketone - Carboxamide group - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic acyclic 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

Associated Targets(Human)

ELANE Tclin Neutrophil elastase (0 Activities)

Discover Target: ELANE

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CTSB Tchem Cathepsin B (0 Activities)

Discover Target: CTSB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PREP Tchem Prolyl endopeptidase (0 Activities)

Discover Target: PREP

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)