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533-45-9

533-45-9 structure
533-45-9 structure
  • Name: Clomethiazole
  • Chemical Name: 5-(2-chloroethyl)-4-methyl-1,3-thiazole
  • CAS Number: 533-45-9
  • Molecular Formula: C6H8ClNS
  • Molecular Weight: 198.11300
  • Catalog: Signaling Pathways Membrane Transporter/Ion Channel GABA Receptor
  • Create Date: 2018-05-17 08:00:00
  • Modify Date: 2024-01-02 16:30:35
  • Chlormethiazole is an potent and orally active GABAA agonist[1]. Chlormethiazole inhibits cytochrome P450 isoforms: CYP2A6 and CYP2E1 in human liver microsomes. Chlormethiazole is an anticonvulsant agent and has the potential for treating convulsive status epilepticus[2].
Name 5-(2-chloroethyl)-4-methyl-1,3-thiazole
Synonyms Clomethiazole
Emineurina
Clomethiazol
Chlormethiazole
MFCD00868012
Distraneurin
Clometiazole
Chlormethiazol
Clomethiazolum
EINECS 208-565-7
Description Chlormethiazole is an potent and orally active GABAA agonist[1]. Chlormethiazole inhibits cytochrome P450 isoforms: CYP2A6 and CYP2E1 in human liver microsomes. Chlormethiazole is an anticonvulsant agent and has the potential for treating convulsive status epilepticus[2].
Related Catalog
In Vitro Clomethiazole (1 mM), in the absence of GABA, to α1/β1/γ2 or α1/β2/γ2 subunit-containing cells produced large whole-cell currents[1]. Clomethiazole activate GABAA currents in α1/β1/γ2- and α1/β2/γ2-containing cells, with EC50 values of 0.3 and 1.5 mM, respectively[1]. Clomethiazole (30 μM) at low concentration also potentiates the action of GABA in both cell types, equivalent to a 3-fold increase in potency and up to 1.8-fold increase in maximal current[1]. Clomethiazole inhibits cytochrome P450 isoforms, CYP2A6 and CYP2E1 with IC50 values of 24 µM and 42 µM, respectively, in human liver microsomes, meanwhile all other isoforms exhibiting values > 300 µM[2].
References

[1]. Nelson RM, et al.Electrophysiological actions of gamma-aminobutyric acid and clomethiazole on recombinant GABA(A) receptors.Eur J Pharmacol. 2002 Oct 11;452(3):255-62.

[2]. Stresser DM, et al. Selective Time- and NADPH-Dependent Inhibition of Human CYP2E1 by Clomethiazole.Drug Metab Dispos. 2016 Aug;44(8):1424-30
Density 1.218 g/cm3
Boiling Point 245.8ºC at 760 mmHg
Molecular Formula C6H8ClNS
Molecular Weight 198.11300
Flash Point 102.4ºC
Exact Mass 196.98300
PSA 41.13000
LogP 3.03480

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ3850000
CHEMICAL NAME :
Thiazole, 5-(2-chloroethyl)-4-methyl-
CAS REGISTRY NUMBER :
533-45-9
BEILSTEIN REFERENCE NO. :
0114244
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C6-H8-Cl-N-S
MOLECULAR WEIGHT :
161.66
WISWESSER LINE NOTATION :
T5N CSJ D2G E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2110 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,167,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
190 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
APSXAS Acta Pharmaceutica Suecica. (Apotekarsocieteten-Farmacevtiska Foereningen, Box 1136, S-111, 81 Stockholm, Sweden) V.1- 1964- Volume(issue)/page/year: 8,39,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
94 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
APSXAS Acta Pharmaceutica Suecica. (Apotekarsocieteten-Farmacevtiska Foereningen, Box 1136, S-111, 81 Stockholm, Sweden) V.1- 1964- Volume(issue)/page/year: 7,423,1970
HS Code 2934100090
137-00-8 structure

137-00-8

~96%

533-45-9 structure

533-45-9

Literature: Van den Hoven; Alper Journal of the American Chemical Society, 2001 , vol. 123, # 6 p. 1017 - 1022
853261-35-5 structure

853261-35-5

~%

533-45-9 structure

533-45-9

Literature: Journal of the American Chemical Society, , vol. 57, p. 1879
663179-27-9 structure

663179-27-9

~%

533-45-9 structure

533-45-9

Literature: Journal of the American Chemical Society, , vol. 57, p. 1879
663179-24-6 structure

663179-24-6

~%

533-45-9 structure

533-45-9

Literature: Journal of the American Chemical Society, , vol. 57, p. 1879
58371-98-5 structure

58371-98-5

~%

533-45-9 structure

533-45-9

Literature: DE678153 , ; DRP/DRBP Org.Chem.
13045-13-1 structure

13045-13-1

~%

533-45-9 structure

533-45-9

Literature: Journal of the American Chemical Society, , vol. 58, p. 1803
HS Code 2934100090
Summary 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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