Clopidogrel Bisulfate - ≥98% , Purinergic receptor P2Y12 antagonist, CAS No.120202-66-6, Purinergic receptor P2Y12 antagonist

CAS: 120202-66-6 Cat. No.: S129544 Peso molecular: 419.9 Beilstein Registry Number: 9967887 Número EC: 601-679-1 PubChem CID: 115366

GRADE & PURITY ≥98%

Synonyms

EN300-122370 | Thieno(3,2-c)pyridine-5(4H)-acetic acid, alpha-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (alphaS)-, sulfate (1:1) | Gefitinib, >=98% (HPLC) | Isocover | J-006637 | PM-103 | (S)-(+)-Clopidogrel hydrogensulfate, >=98% (HPLC) | CCG-39568 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

An irreversible inhibitor of P2Y12.

Specifications

Sinónimos

EN300-122370 | Thieno(3, 2-c)pyridine-5(4H)-acetic acid, alpha-(2-chlorophenyl)-6, 7-dihydro-, methyl ester, (alphaS)-, sulfate (1:1) | Gefitinib, >=98% (HPLC) | Isocover | J-006637 | PM-103 | (S)-(+)-Clopidogrel hydrogensulfate, >=98% (HPLC) | CCG-39568 |

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Selective, high affinity P2Y12receptor antagonist. Inhibits ADP-induced platelet aggregation and displays antithrombotic activity. Active enantiomer of(±)-clopidogrel hydrochloride. Requires bioactivation.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ANTAGONIST

Mecanismo de acción

Purinergic receptor P2Y12 antagonist

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504756749
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756749
• Sonrisas canónicas: COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.OS(=O)(=O)O
• IUPAC Name: methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;sulfuric acid
• InChIKey: FDEODCTUSIWGLK-RSAXXLAASA-N
• INCHI: 1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)/t15-;/m0./s1
• Isómeros SMILES: COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.OS(=O)(=O)O
• WGK Alemania: 3
• PubChem CID: 115366
• Peso molecular: 419.9
• Beilstein: 9967887
• Reaxy-Rn: 9967887

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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 Pyridines and derivatives Aryl chlorides Organic sulfuric acids Thiophenes Heteroaromatic compounds Methyl esters Trialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Thienopyridine - Sulfuric acid - Halobenzene - Aralkylamine - Chlorobenzene - Pyridine - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Organic sulfuric acid or derivatives - Methyl ester - Thiophene - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Aromatic heteropolycyclic compound
• Descripción: 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: organoammonium sulfate salt - azaheterocycle sulfate salt

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

Objetivos asociados (humanos)

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

Discover Target: ABCC4

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

Objetivos asociados (no humanos)

Cruzipain (33337 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: 41.99, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 41.99, Max Conc. mM: 100
• Sensibilidad: Heat sensitive
• Rotación específica [α]: 56° (C=1,MeOH)
• Punto de fusión (°C): 174-176°C
• Peso molecular: 419.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 419.026 Da
• Monoisotopic Mass: 419.026 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 463.000
• 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: 2

XLogP3

Referencias

1. Qiu Wang, Mengchi Sun, Dan Li, Chang Li, Cong Luo, Zhaomeng Wang, Wenjuan Zhang, Zimeng Yang, Yao Feng, Shuang Wang, Zhonggui He, Haotian Zhang, Qiming Kan, Wei Sun, Jin Sun.  (2020)  Cytochrome P450 enzyme-mediated auto-enhanced photodynamic cancer therapy of co-nanoassembly between clopidogrel and photosensitizer.  Theranostics,      [PMID:32373230] [10.7150/thno.42633]

2. Jia Zou, Yang Chen, Maggie Pui Man Hoi, Jun Li, Tao Wang, Ying Zhang, Yu Feng, Jianli Gao, Simon Ming Yuen Lee, Guozhen Cui.  (2018)  Discovery of a Novel ERp57 Inhibitor as Antiplatelet Agent from Danshen (Salvia miltiorrhiza).  Evidence-based Complementary and Alternative Medicine,      [PMID:29849736] [10.1155/2018/9387568]

3. Jinjing Zhang, Ji Zhu, Bingwei Liu, Wencan Liu, Jiawei Li, Sungjoon Lim, Geunchang Choi, Xu Wu, Yiming Zhu, Yan Peng.  (2025)  Polarization-Induced Multimode Terahertz Metamaterial for High-Sensitivity and Label-free Drug Monitoring.  ANALYTICAL CHEMISTRY,      [PMID:41039830] [10.1021/acs.analchem.5c04376]