5-[(2-chlorophenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride

• ChemBase ID: 73239
• Molecular Formular: C14H15Cl2NS
• Molecular Mass: 300.2466
• Monoisotopic Mass: 299.03022585
• SMILES: c12c(CN(CC1)Cc1c(Cl)cccc1)ccs2.Cl
• Canonical SMILES: Clc1ccccc1CN1CCc2c(C1)ccs2.Cl
• InChI: 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
• InChIKey: MTKNGOHFNXIVOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2-chlorophenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride
• IUPAC Traditional name: ticlopidine hydrochloride
• Synonyms: 5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochloride; Ticlopidine hydrochloride; 5-[(2-Chlorophenyl)methyl]-4,5,6,7-tetrahydro-thieno[3,2-c]pyridine; PCR 5332; Ticlid; Ticlopidine; Tiklyd; Ticlopidine hydrochloride; 5-[o-Chlorobenzyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine; 5-(邻氯苄基)-4,5,6,7-四氢噻吩并(3,2-c)吡啶; 噻氯匹定 盐酸盐

Database IDs

• CAS Number: 53885-35-1
• EC Number: 258-837-4
• MDL Number: MFCD00079606
• PubChem SID: 24900396; 162038159
• PubChem CID: 65335

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3920543
• LogD (pH = 7.4): 3.93956
• Log P: 4.1959305
• Molar Refractivity: 74.328 cm^3
• Polarizability: 28.51201 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Water
• Apperance: White Solid
• Melting Point: 207-209°C

Safety Information

• Storage Condition: -20°C; -20°C Freezer; Room Temperature (15-30°C)
• RTECS: XJ9089100
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; R:22
• Safety Statements: 36; S:36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Target: P2X(7) receptor

Product Information

• Purity: ≥99%
• Grade: analytical standard, for drug analysis
• Salt Data: HCl; hydrochloride

DETAILS

MP Biomedicals - 02156922

Hydrochloride

Selleck Chemicals - S1984

Biological Activity:
Ticlopidine hydrochloride is a hydrochloride salt form of ticlopidine which is a selective P2Y12 receptor antagonist. Ticlopidine hydrochloride inhibits ADP-induced platelet aggregation and exhibits antithrombotic activity following oral administration in vivo. Ticlopidine hydrochloride produces time- and dose-dependent inhibition of both platelet aggregation and release of platelet granule constituents as well as prolongation of bleeding time. Ticlopidine hydrochloride interferes with platelet membrane function by preventing platelet-fibrinogen binding and subsequent platelet-platelet interactions. Ticlopidine hydrochloride is rapidly absorbed with peak levels (Tmax) occurring about 2 after dose. Ticlopidine hydrochloride is greater than 80% absorbed. Administration after meals results in a 20% increase in the AUC. Ticlopidine hydrochloride is 98% bound to plasma proteins. Ticlopidine hydrochloride is metabolized extensively by the liver. Only trace amounts of ticlopidine are detected in urine. [1]References on Ticlopidine HCl[1] Arterioscler Thromb Vasc Biol., 2008 Mar, 28(3):s33-8

Toronto Research Chemicals - T438325

An antithrombotic. A platelet aggregation inhibitor.

REFERENCES

• Michelson AD. Arterioscler Thromb Vasc Biol. 2008 Mar;28(3):s33-8.
• Leblonde, G., et al.: Biochem. Pharmacol., 27, 2099 (1978)
• O’Brien, J.R., et al: Thromb. Res., 13, 245 (1978)
• Katsumura, T., et al.: Angiology, 33, 357 (1978)