CPA inhibitor - ≥99% , CAS No.223532-02-3

CAS: 223532-02-3 Cat. No.: C647897 Summenformel: C₁₈H₁₉NO₄ Molekulargewicht: 313.35 PubChem CID: 44374998

GRADE & PURITY ≥99%

Synonyms

2-BENZYL-3-(N-HYDROXY-2-PHENYLACETAMIDO)PROPANOIC ACID | BCP25346 | YIA53202 | 2-Benzyl-3-(hydroxy-phenylacetyl-amino)-propionic acid | AKOS030526732 | Carboxypeptidase A inhibitor pound>>CPA-IN-5 | 2-benzyl-3-[hydroxy-(2-phenylacetyl)amino]propanoic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

CPA inhibitor (Carboxypeptidase inhibitor; compound 5) is a potent carboxypeptidase A (CPA) inhibitor with a K i of 0.32 μM

Form:Solid

IC50& Target:Ki: 0.32 μM (CPA)

Specifications

Synonyme

2-BENZYL-3-(N-HYDROXY-2-PHENYLACETAMIDO)PROPANOIC ACID | BCP25346 | YIA53202 | 2-Benzyl-3-(hydroxy-phenylacetyl-amino)-propionic acid | AKOS030526732 | Carboxypeptidase A inhibitor pound>>CPA-IN-5 | 2-benzyl-3-[hydroxy-(2-phenylacetyl)amino]propanoic acid

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

CPA inhibitor (Carboxypeptidase inhibitor; compound 5) is a potent carboxypeptidase A (CPA) inhibitor with a K i of 0.32 μM.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC=C(C=C1)CC(CN(C(=O)CC2=CC=CC=C2)O)C(=O)O
• IUPAC Name: 2-benzyl-3-[hydroxy-(2-phenylacetyl)amino]propanoic acid
• InChIKey: PONANXDRJJIGPG-UHFFFAOYSA-N
• INCHI: 1S/C18H19NO4/c20-17(12-15-9-5-2-6-10-15)19(23)13-16(18(21)22)11-14-7-3-1-4-8-14/h1-10,16,23H,11-13H2,(H,21,22)
• Isomere SMILES: C1=CC=C(C=C1)CC(CN(C(=O)CC2=CC=CC=C2)O)C(=O)O
• Alternative CAS-Nummer: 223532-02-3
• PubChem CID: 44374998
• Molekulargewicht: 313.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Phenylacetamides Hydroxamic acids Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Phenylacetamide - Monocyclic benzene moiety - Benzenoid - Hydroxamic acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• 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

Zugehörige Ziele (menschlich)

CPA1 Tchem Carboxypeptidase A1 (1 Activities)

Discover Target: CPA1

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

CPA1 Tchem Carboxypeptidase A1 (146 Activities)

Discover Target: CPA1

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

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 100 mg/mL (319.13 mM; Need ultrasonic)
• Molekulargewicht: 313.300 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 313.131 Da
• Monoisotopic Mass: 313.131 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 386.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1