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Tiagabine hydrochloride structure, CAS 145821-59-6

Tiagabine hydrochloride

CAS Number145821-59-6

Synonyms(-)-(R)-1-[4,4-Bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid hydrochloride; acide (3R)-1-[4,4-bis(3-méthylthiophén-2-yl)but-3-én-1-yl]pipéridine-3-carboxylique chlorhydrate; Abbott-70569.1; EINECS 200-659-6; (3R)-1-[4,4-Bis(3-methyl-2-thienyl)but-3-en-1-yl]piperidine-3-carboxylic acid hydrochloride (1:1); (3R)-1-[4,4-Bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidin-3-carbonsäurehydrochlorid; Tiagabine hydrochloride; (3R)-1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)-3-piperidinecarboxylic acid hydrochloride; (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid hydrochloride; (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid,hydrochloride; (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid hydrochloride (1

Molecular FormulaC20H26ClNO2S2

Molecular Weight412.009

Purity98%

Density

Boiling Point568ºC at 760 mmHg

Melting Point>192oC dec.

Flash Point

AppearanceWhite to off-white solid

EINECS

MSDSChineseEnglish

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Signal WordWarning

Cat. No.: 2A-0202294 Purity: 98%
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Quality Control of [ 145821-59-6 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number145821-59-6
Catalog No.2A-0202294
Chinese Name盐酸噻加宾
Synonyms(-)-(R)-1-[4,4-Bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid hydrochloride; acide (3R)-1-[4,4-bis(3-méthylthiophén-2-yl)but-3-én-1-yl]pipéridine-3-carboxylique chlorhydrate; Abbott-70569.1; EINECS 200-659-6; (3R)-1-[4,4-Bis(3-methyl-2-thienyl)but-3-en-1-yl]piperidine-3-carboxylic acid hydrochloride (1:1); (3R)-1-[4,4-Bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidin-3-carbonsäurehydrochlorid; Tiagabine hydrochloride; (3R)-1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)-3-piperidinecarboxylic acid hydrochloride; (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid hydrochloride; (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid,hydrochloride; (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid hydrochloride (1
Molecular FormulaC20H26ClNO2S2
Molecular Weight412.009
Purity98
Boiling Point568ºC at 760 mmHg
Melting Point>192oC dec.
AppearanceWhite to off-white solid
Water SolubilityWater solubility: soluble
Storage Condition-20°C Freezer
ApplicationTiagabine (NO328) hydrochloride is a GABA reabsorption inhibitor.
PubChem ID7849158
SMILESCc1ccsc1C(=CCCN1CCCC(C(=O)O)C1)c1sccc1C.Cl
InChIInChI=1S/C20H25NO2S2.ClH/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23;/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23);1H/t16-;/m1./s1
InChI KeyYUKARLAABCGMCN-PKLMIRHRSA-N
Hazard Symbolstransportation
BioactivityTiagabine hydrochloride(NO328 hydrochloride) is a selective gamma-aminobutyric acid (GABA) reuptake inhibitor.Target: GABA reuptake inhibitorTiagabine had an early onset of effect, as shown by significant reduction from baseline in mean HAM-A total score compared with placebo at week 1 (observed cases, p < .05). Tiagabine was generally well tolerated and not associated with changes in sexual functioning or depressive status. Symptoms of a discontinuation syndrome during taper were not observed. Tiagabine may be a useful treatment option for adult patients diagnosed with GAD [1]. Tiagabine was generally well tolerated; the most common adverse events were nausea, dizziness and headaches [2]. Tiagabine (0.1 microM), an antiepileptic drug that specifically inhibits the GAT-1 GABA transporter inhibited GABA uptake 50% in temporal cortex and 60-68% in white structures [3]. Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> GABA Receptor Signaling Pathways >> Neuronal Signaling >> GABA Receptor Research Areas >> Neurological Disease References [1]. Pollack, M.H., et al., The selective GABA reuptake inhibitor tiagabine for the treatment of generalized anxiety disorder: results of a placebo-controlled study. J Clin Psychiatry, 2005. 66(11): p. 1401-8. [2]. Sheehan, D.V., et al., An open-label study of tiagabine in panic disorder. Psychopharmacol Bull, 2007. 40(3): p. 32-40. [3]. Henjum, S. and B. Hassel, High-affinity GABA uptake and GABA-metabolizing enzymes in pig forebrain white matter: a quantitative study. Neurochem Int, 2007. 50(2): p. 365-70. Chemical & Physical Properties Boiling Point 568ºC at 760 mmHg Melting Point >192oC dec. Molecular Formula C20H26ClNO2S2 Molecular Weight 412.009 Flash Point 297.3ºC Exact Mass 411.109344 PSA 97.02000 LogP 5.78470 Vapour Pressure 9.71E-14mmHg at 25°C InChIKey YUKARLAABCGMCN-PKLMIRHRSA-N SMILES Cc1ccsc1C(=CCCN1CCCC(C(=O)O)C1)c1sccc1C.Cl Storage condition -20°C Freezer
Use ofProperties Name tiagabine hydrochloride Synonym More Synonyms Tiagabine hydrochloride Biological Activity Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> GABA Receptor Signaling Pathways >> Neuronal Signaling >> GABA Receptor Research Areas >> Neurological Disease References [1]. Pollack, M.H., et al., The selective GABA reuptake inhibitor tiagabine for the treatment of generalized anxiety disorder: results of a placebo-controlled study. J Clin Psychiatry, 2005. 66(11): p. 1401-8. [2]. Sheehan, D.V., et al., An open-label study of tiagabine in panic disorder. Psychopharmacol Bull, 2007. 40(3): p. 32-40. [3]. Henjum, S. and B. Hassel, High-affinity GABA uptake and GABA-metabolizing enzymes in pig forebrain white matter: a quantitative study. Neurochem Int, 2007. 50(2): p. 365-70. Chemical & Physical Properties Exact Mass 411.109344 PSA 97.02000 LogP 5.78470 InChIKey YUKARLAABCGMCN-PKLMIRHRSA-N
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available See reverse side of invoice or packing slip.
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