（±)-Clopidogrel - ≥98% , CAS No.90055-48-4

CAS: 90055-48-4 Cat. No.: C338734 Fórmula: C₁₆H₁₆ClNO₂S Peso molecular: 321.8

GRADE & PURITY ≥98%

Synonyms

(RS)-CLOPIDOGREL | CHEBI:103977 | 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester | methyl 2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl)acetate | UNII-MX75HY8K68 | CLOPIDOGREL, (+/-)- | racemic Clo

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Visão geral

（±)-Clopidogrel is a thienopyridine adenosine diphosphate (ADP)-receptor antagonist. In addition, this ligand functions as a selective irreversible P2Y12 receptor antagonist. It is known that P2Y12 are ADP receptors located on platelet membranes and are responsible for platelet aggregation and cross-linking by fibrin. This mechanism involves blocking the activation of glycoprotein IIb/IIIa. It is known that（±)-Clopidogrel interacts with the ADP receptor by forming disulfide bonds. Furthermore,（±)-Clopidogrel is activated by cytochrome P450 enzymes from the liver, specifically CYP2C19.

Specifications

Sinónimos

(RS)-CLOPIDOGREL | CHEBI:103977 | 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester | methyl 2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl)acetate | UNII-MX75HY8K68 | CLOPIDOGREL, (+/-)- | racemic Clo

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C,Desiccated

Enviado em

Ice chest + Ice pads

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

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504750611
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750611
• Sorrisos canónicos: COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3
• IUPAC Name: methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
• InChIKey: GKTWGGQPFAXNFI-UHFFFAOYSA-N
• INCHI: 1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3
• SMILES isoméricas: COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3
• Peso molecular: 321.8
• Reaxy-Rn: 9709294
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9709294&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Thienopyridines Aralkylamines Chlorobenzenes Aryl chlorides Pyridines and derivatives Methyl esters Heteroaromatic compounds Thiophenes Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Thienopyridine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Methyl ester - Thiophene - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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 (humanos)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

Discover Target: RUNX1

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Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

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Rattus norvegicus (775804 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

Discover Target: fba

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

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO (100 mM), ethanol (100 mM), DMF (~20 mg/ml), and DMSO:PBS (1:2, pH 7.2) (~0.33 mg/ml).
• Índice de refração: n20D1.62 (Predicted)
• Peso molecular: 321.800 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 321.059 Da
• Monoisotopic Mass: 321.059 Da
• Topological Polar Surface Area: 57.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 381.000
• 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