（±)-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

Armazenar a -20°C,Dessecado

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

o （±)-Clopidogrel é um antagonista dos receptores de adenosina difosfato (ADP) da tienopiridina. Além disso, este ligando funciona como um antagonista seletivo irreversível do recetor P2Y12. Sabe-se que os P2Y12 são receptores de ADP localizados nas membranas das plaquetas e são responsáveis pela agregação plaquetária e pela ligação cruzada à fibrina. Este mecanismo envolve o bloqueio da ativação da glicoproteína IIb/IIIa. Sabe-se que o （±)-Clopidogrel interage com o recetor ADP através da formação de ligações dissulfureto. Além disso,（±)-Clopidogrel é ativado por enzimas do citocromo P450 do fígado, especificamente 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

Armazenar a -20°C,Dessecado

Enviado em

Arca de gelo + almofadas de gelo

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

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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

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

Discover Target: fba

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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