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

CAS: 120202-66-6 Cat. No.: S129544 분자식: C₁₆H₁₆ClNO₂S.H₂SO₄ 분자량: 419.9 Beilstein Registry Number: 9967887 EC 번호: 601-679-1 PubChem CID: 115366

등급 & 순도 ≥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

개요

An irreversible inhibitor of P2Y12.

사양

동의어

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 |

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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

보관 조건

Store at 2-8°C

배송

Wet ice

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작업 유형

ANTAGONIST

작동 메커니즘

Purinergic receptor P2Y12 antagonist

순수함

≥98%

이름과 식별자

Pubchem Sid

504756749

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756749

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

PubChem CID

115366

분자량

419.9

Beilstein

9967887

Reaxy-Rn

9967887

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 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
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

Cruzipain (33337 Activities)

Explore this target

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Rattus norvegicus (775804 Activities)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:water, Max Conc. mg/mL: 41.99, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 41.99, Max Conc. mM: 100
• 감도: Heat sensitive
• 특정 회전[α]: 56° (C=1,MeOH)
• 녹는점(°C): 174-176°C
• 분자량: 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

자주 묻는 질문

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 120202-66-6, the molecular formula is C16H18ClNO6S2, and the molecular weight is 419.9 g/mol. InChIKey FDEODCTUSIWGLK-RSAXXLAASA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.