Prasugrel Hydrochloride - 10mM in DMSO , Purinergic receptor P2Y12 antagonist, CAS No.389574-19-0, Purinergic receptor P2Y12 antagonist

CAS: 389574-19-0 Cat. No.: P423801 Molecular Weight: 409.9 EC Number: 627-126-4 PubChem CID: 10158453

GRADE & PURITY 10mM in DMSO

Synonyms

CCG-268764 | PRASUGREL HYDROCHLORIDE [USP MONOGRAPH] | rac-5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-4,5,6,7-tetrahydrothieno(3,2-c)pyridin-2-yl acetate hydrochloride | PRASUGREL HYDROCHLORIDE (EP MONOGRAPH) | PRASUGREL HYDROCHLORIDE [MART.] | Tox21

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Product Describtion:

Prasugrel hydrochloride (PCR 4099 hydrochloride), a thienopyridine and prodrug, inhibits platelet function. Prasugrel hydrochloride is an orally active and potent P2Y12 receptor antagonist, and inhibits ADP-induced platelet aggregation.

Specifications

Synonyms

CCG-268764 | PRASUGREL HYDROCHLORIDE [USP MONOGRAPH] | rac-5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-4, 5, 6, 7-tetrahydrothieno(3, 2-c)pyridin-2-yl acetate hydrochloride | PRASUGREL HYDROCHLORIDE (EP MONOGRAPH) | PRASUGREL HYDROCHLORIDE [MART.] | Tox21

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Mechanism of action

Purinergic receptor P2Y12 antagonist

Names and Identifiers

• Canonical Smiles: CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl
• IUPAC Name: [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride
• InChIKey: JALHGCPDPSNJNY-UHFFFAOYSA-N
• INCHI: 1S/C20H20FNO3S.ClH/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21;/h2-5,10,13,19H,6-9,11H2,1H3;1H
• Isomeric SMILES: CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl
• PubChem CID: 10158453
• Molecular Weight: 409.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thienopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thienopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyridines
• Alternative Parents: 2,3,5-trisubstituted thiophenes Aralkylamines Fluorobenzenes Pyridines and derivatives Aryl fluorides Alpha-amino ketones Heteroaromatic compounds Trialkylamines Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Hydrochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyridine - 2,3,5-trisubstituted thiophene - Halobenzene - Aralkylamine - Fluorobenzene - Pyridine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Thiophene - Alpha-aminoketone - Carboxylic acid ester - Ketone - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Hydrochloride - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°C): 252.3℃
• Boil Point(°C): 493.5℃ at 760 mmHg
• Molecular Weight: 409.900 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 409.091 Da
• Monoisotopic Mass: 409.091 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 555.000
• 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: 2

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