GR 144053 trihydrochloride - ≥99%(HPLC) , CAS No.1215333-48-4

CAS: 1215333-48-4 Cat. No.: G288867 Molecular Weight: 454.83 PubChem CID: 16759148

GRADE & PURITY ≥99%(HPLC)

Synonyms

4-[4-[4-(Aminoiminomethyl)phenyl]-1-piperazinyl]-1-piperidineacetic acid trihydrochloride | 2-(4-(4-(4-carbamimidoylphenyl)piperazin-1-yl)piperidin-1-yl)acetic acid trihydrochloride

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

4-[4-[4-(Aminoiminomethyl)phenyl]-1-piperazinyl]-1-piperidineacetic acid trihydrochloride | 2-(4-(4-(4-carbamimidoylphenyl)piperazin-1-yl)piperidin-1-yl)acetic acid trihydrochloride

Specifications & Purity

≥99%(HPLC)

Biochemical and Physiological Mechanisms

A potent and selective platelet fibrinogen receptor glycoprotein IIb/IIIa (GpIIb/IIIa) antagonist (IC50= 37 nM). Orally active and highly effective at inhibiting thrombus formationin vivo.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥99%(HPLC)

Names and Identifiers

• Canonical Smiles: C1CN(CCC1N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CC(=O)O.Cl.Cl.Cl
• IUPAC Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]acetic acid;trihydrochloride
• InChIKey: YKRNPHOBDOUQTG-UHFFFAOYSA-N
• INCHI: 1S/C18H27N5O2.3ClH/c19-18(20)14-1-3-15(4-2-14)22-9-11-23(12-10-22)16-5-7-21(8-6-16)13-17(24)25;;;/h1-4,16H,5-13H2,(H3,19,20)(H,24,25);3*1H
• Isomeric SMILES: C1CN(CCC1N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CC(=O)O.Cl.Cl.Cl
• PubChem CID: 16759148
• Molecular Weight: 454.83

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Alpha amino acids Aniline and substituted anilines Dialkylarylamines N-alkylpiperazines Aminopiperidines Trialkylamines Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxamidines Carboximidamides Carboxylic acids Carbonyl compounds Hydrochlorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Alpha-amino acid - Alpha-amino acid or derivatives - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - 4-aminopiperidine - N-alkylpiperazine - Monocyclic benzene moiety - Piperidine - Benzenoid - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Amino acid - Amidine - Azacycle - Carboximidamide - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Organic nitrogen compound - Hydrochloride - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• 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

• Solubility: Solvent:water, Max Conc. mg/mL: 45.48, Max Conc. mM: 100
• Molecular Weight: 454.800 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 453.147 Da
• Monoisotopic Mass: 453.147 Da
• Topological Polar Surface Area: 96.900 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 462.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 4

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