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

CAS: 90055-48-4 Cat. No.: C338734 Summenformel: C₁₆H₁₆ClNO₂S Molekulargewicht: 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

Übersicht

（±)-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

Synonyme

(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

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504750611
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750611
• Kanonisches Lächeln: 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
• Isomere SMILES: COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3
• Molekulargewicht: 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
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

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

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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO (100 mM), ethanol (100 mM), DMF (~20 mg/ml), and DMSO:PBS (1:2, pH 7.2) (~0.33 mg/ml).
• Brechungsindex: n20D1.62 (Predicted)
• Molekulargewicht: 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