Clopidogrel - Moligand™,≥97% , CAS No.113665-84-2

CAS: 113665-84-2 Cat. No.: M637412 分子式: C₁₆H₁₆NO₂SCl 分子量: 321.82 EC番号: 601-269-2

グレード＆純度 Moligand™, ≥97%

Synonyms

(+)-Clopidogrel | (S)-Clopidogrel | CHEBI:37941 | Clopidogrel Acino | Clopidogrel Hexal | UNII-A74586SNO7 | SR 25990 | clopidogrel | HSDB 7430 | Clopidogrel bisulfate | Clopidogrel 1A Pharma | Plavix | R 130964 | Clopidogrel Winthrop | Thrombo

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

Clopidogrel is an orally active platelet inhibitor that targets P2Y12 receptor. Clopidogrel is used to inhibit blood clots in coronary artery disease, peripheral vascular disease, and cerebrovascular disease.

仕様

同義語

(+)-Clopidogrel | (S)-Clopidogrel | CHEBI:37941 | Clopidogrel Acino | Clopidogrel Hexal | UNII-A74586SNO7 | SR 25990 | clopidogrel | HSDB 7430 | Clopidogrel bisulfate | Clopidogrel 1A Pharma | Plavix | R 130964 | Clopidogrel Winthrop | Thrombo

仕様と純度

Moligand™, ≥97%

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

純度

≥97%

名前と識別子

パブケム・シド

528772707

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528772707

カノニカル・スマイル

COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3

IUPAC Name

methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate

InChIKey

GKTWGGQPFAXNFI-HNNXBMFYSA-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/t15-/m0/s1

異性体SMILES

COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3

代替CAS番号

113665-84-2

NSC番号

748298

MeSH用語

clopidogrel;clopidogrel besilate;clopidogrel besylate;clopidogrel bisulfate;clopidogrel hydrochloride;Clopidogrel Mepha;clopidogrel napadisilate;clopidogrel Sandoz;clopidogrel, (+)(S)-isomer;clopidogrel-Mepha;Iscover;PCR 4099;PCR-4099;Plavix;SC 25989C;SC

分子量

321.82

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
    • 分類 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
• 分類: 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
• 説明: 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: methyl ester - monochlorobenzenes - thienopyridine

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

関連ターゲット（人間）

CYP2B6 Tchem Cytochrome P450 2B6 (2 Activities)

Discover Target: CYP2B6

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

SLC6A4 Tclin Sodium-dependent serotonin transporter (2 Activities)

Discover Target: SLC6A4

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

化学的性質と物理的性質

• 感度: Sensitive to humidity;Air sensitive;Heat sensitive
• 分子量: 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: 1
• 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