Ticlopidine HCl - ≥98% , Purinergic receptor P2Y12 antagonist, CAS No.53885-35-1, Purinergic receptor P2Y12 antagonist

CAS: 53885-35-1 Cat. No.: T129548 Molecular Weight: 300.25 EC Number: 258-837-4 PubChem CID: 65335

GRADE & PURITY ≥98%

Synonyms

5-[(2-chlorophenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride | HMS1568I15 | Prestwick_502 | Hydrochloride, Ticlopidine | Thieno(3,2-c)pyridine, 5-((2-chlorophenyl)methyl)-4,5,6,7-tetrahydro-, hydrochloride | BCP0726000288 | D01028 | Aplaket

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Ticlopidine HCl is an P2 receptor inhibitor against ADP-induced platelet aggregation with IC50 of ~2 μM.
A platelet aggregation inhibitor

Specifications

Synonyms

5-[(2-chlorophenyl)methyl]-4H, 5H, 6H, 7H-thieno[3, 2-c]pyridine hydrochloride | HMS1568I15 | Prestwick_502 | Hydrochloride, Ticlopidine | Thieno(3, 2-c)pyridine, 5-((2-chlorophenyl)methyl)-4, 5, 6, 7-tetrahydro-, hydrochloride | BCP0726000288 | D01028 | Aplaket

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Ticlopidine hydrochloride is a platelet aggregation inhibitor capable of inducing apoptosis in various cancer cell lines by antagonizing the P2Y12 receptor, which is responsible for initiating the signal transduction that causes platelets to aggregate.Sel

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Action Type

ANTAGONIST

Mechanism of action

Purinergic receptor P2Y12 antagonist

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753976
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753976
• Canonical Smiles: C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl.Cl
• IUPAC Name: 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
• InChIKey: MTKNGOHFNXIVOS-UHFFFAOYSA-N
• INCHI: 1S/C14H14ClNS.ClH/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14;/h1-4,6,8H,5,7,9-10H2;1H
• Isomeric SMILES: C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl.Cl
• WGK Germany: 3
• RTECS: XJ9089100
• PubChem CID: 65335
• Molecular Weight: 300.25
• Reaxy-Rn: 4037097

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: Phenylmethylamines Benzylamines Chlorobenzenes Aralkylamines Pyridines and derivatives Aryl chlorides Thiophenes Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyridine - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organopnictogen compound - 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: hydrochloride

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

Associated Targets(Human)

CYP1A2 Tchem Cytochrome P450 1A2 (0 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (0 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (0 Activities)

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CYP2B6 Tchem Cytochrome P450 2B6 (0 Activities)

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SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (0 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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ATM Tchem Serine-protein kinase ATM (4198 Activities)

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Homo sapiens (32628 Activities)

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HEK293 (82097 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

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Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Cavia porcellus (23802 Activities)

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Rattus norvegicus (775804 Activities)

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lef Anthrax lethal factor (7585 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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FTL Ferritin light chain (43324 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol, water (4 mg/ml at 25 °C), ethanol (1 mg/ml at 25 °C), and DMSO (1 mg/ml at 25 °C)
• Melt Point(°C): 210 °C
• Molecular Weight: 300.200 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 299.03 Da
• Monoisotopic Mass: 299.03 Da
• Topological Polar Surface Area: 31.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 261.000
• 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: 2

XLogP3

References

1. Bayarmaa Khadankhuu, Yuxiang Fei, Dan Xu, Yingchao Li, Kai Hou, Fengyang Li, Weirong Fang, Xijing Chen, Yunman Li.  (2019)  Pharmacokinetics and pharmacodynamics analysis of XQ-1H and its combination therapy with clopidogrel on cerebral ischemic reperfusion injury in rats.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:31735472] [10.1016/j.jpba.2019.112975]