APC 366 - ≥98% , CAS No.158921-85-8

CAS: 158921-85-8 Cat. No.: A287530 Fórmula: C₂₂H₂₈N₆O₄ Peso molecular: 440.5 PubChem CID: 177340

GRAU & PUREZA ≥98%

Synonyms

N-[1-hydroxy-2-naphthoyl]-l-arginyl-l-prolinamide | APC 366 (hydrochloride) | BOSAPTLE0I | L-Prolinamide, N2-((1-hydroxy-2-naphthalenyl)carbonyl)-L-arginyl- | (2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[(1-hydroxynaphthalene-2-carbonyl)amino]pentanoyl]pyr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

N-[1-hydroxy-2-naphthoyl]-l-arginyl-l-prolinamide | APC 366 (hydrochloride) | BOSAPTLE0I | L-Prolinamide, N2-((1-hydroxy-2-naphthalenyl)carbonyl)-L-arginyl- | (2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[(1-hydroxynaphthalene-2-carbonyl)amino]pentanoyl]pyr

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Selective inhibitor of mast cell tryptase (Ki= 7.1μM) that inhibits tryptase-induced histamine release from human tonsil and lung cells. Reduces airway inflammation and blocks postchallenge airway hyperresponsivenessin vivo.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

C1CC(N(C1)C(=O)C(CCCN=C(N)N)NC(=O)C2=C(C3=CC=CC=C3C=C2)O)C(=O)N

IUPAC Name

(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[(1-hydroxynaphthalene-2-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxamide

InChIKey

SKYWIMYOGAWOMB-IRXDYDNUSA-N

INCHI

1S/C22H28N6O4/c23-19(30)17-8-4-12-28(17)21(32)16(7-3-11-26-22(24)25)27-20(31)15-10-9-13-5-1-2-6-14(13)18(15)29/h1-2,5-6,9-10,16-17,29H,3-4,7-8,11-12H2,(H2,23,30)(H,27,31)(H4,24,25,26)/t16-,17-/m0/s1

SMILES isoméricas

C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)NC(=O)C2=C(C3=CC=CC=C3C=C2)O)C(=O)N

PubChem CID

177340

Peso molecular

440.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Proline and derivatives N-acyl-alpha amino acids and derivatives Naphthalenecarboxamides Alpha amino acid amides Naphthols and derivatives Salicylic acid and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Tertiary carboxylic acid amides Secondary carboxylic acid amides Guanidines Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - 2-naphthalenecarboxamide - 2-naphthalenecarboxylic acid or derivatives - Proline or derivatives - Alpha-amino acid amide - 1-naphthol - Alpha-amino acid or derivatives - Naphthalene - Salicylic acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Vinylogous acid - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Guanidine - Primary carboxylic acid amide - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Carboximidamide - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
• Descrição: 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

Alvos associados (não humanos)

Tryptase (1 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble to 5 (mg/mL) in 20% ethanol / water
• Peso molecular: 440.500 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 440.217 Da
• Monoisotopic Mass: 440.217 Da
• Topological Polar Surface Area: 177.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 725.000
• 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