sucunamostat - Moligand™ , Inhibitor of transmembrane serine protease 15, CAS No.1802888-04-5, Inhibitor of transmembrane serine protease 15

CAS: 1802888-04-5 Cat. No.: S613746 PubChem CID: 91827404

GRADE & PURITY Moligand™

Synonyms

V4JYY6ESD3 | HY-132841 | 1802888-04-5 | GTPL11683 | L-Aspartic acid, N-(2-((3S)-6-((4-((aminoiminomethyl)amino)benzoyl)oxy)-2,3-dihydro-3-benzofuranyl)acetyl)- | Sucunamostat [INN] | (2S)-2-[[2-[(3S)-6-[4-(Diaminomethylideneamino)benzoyl]oxy-2,3-dihydro-1

Storage

Room temperature

Specifications

Synonyms

V4JYY6ESD3 | HY-132841 | 1802888-04-5 | GTPL11683 | L-Aspartic acid, N-(2-((3S)-6-((4-((aminoiminomethyl)amino)benzoyl)oxy)-2, 3-dihydro-3-benzofuranyl)acetyl)- | Sucunamostat [INN] | (2S)-2-[[2-[(3S)-6-[4-(Diaminomethylideneamino)benzoyl]oxy-2, 3-dihydro-1

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of transmembrane serine protease 15

Names and Identifiers

• Canonical Smiles: N(C(=N)N)c1ccc(C(=O)Oc2cc3c([C@@H](CO3)CC(=O)N[C@@H](CC(=O)O)C(=O)O)cc2)cc1
• IUPAC Name: (2S)-2-[[2-[(3S)-6-[4-(Diaminomethylideneamino)benzoyl]oxy-2,3-dihydro-1-benzofuran-3-yl]acetyl]amino]butanedioic acid
• InChIKey: PUZUTMLAAWVCCV-WBMJQRKESA-N
• INCHI: 1S/C22H22N4O8/c23-22(24)25-13-3-1-11(2-4-13)21(32)34-14-5-6-15-12(10-33-17(15)8-14)7-18(27)26-16(20(30)31)9-19(28)29/h1-6,8,12,16H,7,9-10H2,(H,26,27)(H,28,29)(H,30,31)(H4,23,24,25)/t12-,16+/m1/s1
• Isomeric SMILES: C1[C@H](C2=C(O1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N)CC(=O)N[C@@H](CC(=O)O)C(=O)O
• PubChem CID: 91827404

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Aspartic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Aspartic acid and derivatives
• Alternative Parents: N-acyl-L-alpha-amino acids Guanidinobenzoic acids and derivatives Benzoic acid esters Phenol esters Coumarans Benzoyl derivatives Alkyl aryl ethers Dicarboxylic acids and derivatives Secondary carboxylic acid amides Carboxylic acid esters Guanidines Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aspartic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Guanidinobenzoic acid or derivatives - N-acyl-l-alpha-amino acid - Phenol ester - Benzoate ester - Benzoic acid or derivatives - Coumaran - Benzoyl - Alkyl aryl ether - Dicarboxylic acid or derivatives - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Secondary carboxylic acid amide - Guanidine - Carboxamide group - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Ether - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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)

TMPRSS15 Tchem Enteropeptidase (0 Activities)

Discover Target: TMPRSS15

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

Mechanisms of Action