Prasugrel - Moligand™, 10mM in DMSO , CAS No.150322-43-3

CAS: 150322-43-3 Cat. No.: P421769 Summenformel: C₂₀H₂₀FNO₃S Molekulargewicht: 373.44 EG-Nummer: 801-962-1

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

AR-270/43507998 | BP164290 | P2040 | prasugrelum | 2-[2-(Acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone | 2-chlor-N,N-dimethyacetamide | NSC-759625 | BCP01882 | Effient | Ethanone, 2-(2-(acetyloxy)-6,7-dihydr

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Is a member of the thienopyridine class of ADP receptor inhibitors
An ADP receptor inhibitor

Specifications

Synonyme

AR-270/43507998 | BP164290 | P2040 | prasugrelum | 2-[2-(Acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone | 2-chlor-N,N-dimethyacetamide | NSC-759625 | BCP01882 | Effient | Ethanone, 2-(2-(acetyloxy)-6,7-dihydr

Spezifikationen & Reinheit

Moligand™, 10mM in DMSO

Biochemische und physiologische Mechanismen

Irreversible P2Y12antagonist; metabolised to active metabolite R-99224 (IC50= 45 μM) irreversibly binds platelet P2Y12receptors, inhibiting platelet activation. Antiplatelet and antithrombotic. Orally active and activein vivo. Note - inactivein vitro.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Note

Moligand™

Namen und Kennungen

• Pubchem Sid: 528772014
• Kanonisches Lächeln: CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4
• IUPAC Name: [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
• InChIKey: DTGLZDAWLRGWQN-UHFFFAOYSA-N
• INCHI: 1S/C20H20FNO3S/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
• Isomere SMILES: CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4
• WGK Deutschland: 3
• Molekulargewicht: 373.44
• Reaxy-Rn: 9008623
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9008623&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Thienopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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 Organic oxides Organofluorides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyridine - 2,3,5-trisubstituted thiophene - Halobenzene - Fluorobenzene - Aralkylamine - Pyridine - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Thiophene - Alpha-aminoketone - Heteroaromatic compound - Tertiary aliphatic amine - Amino acid or derivatives - Ketone - Tertiary amine - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organofluoride - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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: tertiary amino compound - acetate ester - cyclopropanes - ketone - monofluorobenzenes - 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

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F2 Tclin Thrombin (11687 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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P2RY12 Tclin Purinergic receptor P2Y12 (2369 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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Homo sapiens (32628 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Canis familiaris (36305 Activities)

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Oryctolagus cuniculus (11301 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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ddn Putative uncharacterized protein (49 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Heat sensitive
• Schmelzpunkt (°C): 122 °C
• Molekulargewicht: 373.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 373.115 Da
• Monoisotopic Mass: 373.115 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 26
• 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: 1

Referenzen

1. Yang Liu, Chunling Wang, Pengfei Wei, Chengzhi Yang, Xiaoyu Cheng, Yinlong Zhang, Guangjun Nie.  (2025)  Mesoporous Silica Nanotraps for Mitigating Bleeding Risk From ‘Irreversible’ Antiplatelet Drugs.  ADVANCED MATERIALS,      [PMID:40195768] [10.1002/adma.202501576]