Clomethiazole , GABA-A receptor; anion channel positive allosteric modulator, CAS No.533-45-9, GABA-A receptor; anion channel positive allosteric modulator

CAS: 533-45-9 Cat. No.: C348069 Peso molecular: 161.65 Número EC: 208-565-7
Disponible para pedir
Synonyms
5-(2-Chloro-ethyl)-4-methyl-thiazole | 5-(2-CHLOROETHYL)-4-METHYLTHIAZOLE | SY101781 | Q417178 | SMR002529479 | Clometiazolo | BRD-K50422030-001-01-2 | NCGC00024842-05 | Clomethiazole [INN:BAN] | CLOMETHIAZOLE [MI] | NCGC00024842-04 | WY 1485 | BPBio1_000
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
C348069-1g
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141,90US$

184,90US$
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
5-(2-Chloro-ethyl)-4-methyl-thiazole | 5-(2-CHLOROETHYL)-4-METHYLTHIAZOLE | SY101781 | Q417178 | SMR002529479 | Clometiazolo | BRD-K50422030-001-01-2 | NCGC00024842-05 | Clomethiazole [INN:BAN] | CLOMETHIAZOLE [MI] | NCGC00024842-04 | WY 1485 | BPBio1_000
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Tipo de acción
POSITIVE ALLOSTERIC MODULATOR
Mecanismo de acción
GABA-A receptor; anion channel positive allosteric modulator
Propiedades del producto
ALogP2.1
Nombres e identificadores
Sonrisas canónicasCC1=C(SC=N1)CCCl
IUPAC Name5-(2-chloroethyl)-4-methyl-1,3-thiazole
InChIKeyPCLITLDOTJTVDJ-UHFFFAOYSA-N
INCHI1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3
Isómeros SMILES CC1=C(SC=N1)CCCl
Peso molecular 161.65
Reaxy-Rn 114244
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114244&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseAzoles
SubclassThiazoles
Intermediate Tree Nodes Not available
Direct Parent4,5-disubstituted thiazoles
Alternative Parents Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  Alkyl chlorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 4,5-disubstituted 1,3-thiazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as 4,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 4 and 5 only.
External Descriptors a thiazole
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
DRD1 Tclin Dopamine D1 receptor (9720 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ARSA Tbio Cerebroside-sulfatase (655 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2E1 Tchem Cytochrome P450 2E1 (2174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Hippocampus (57 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular161.650 g/mol
XLogP32.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass161.007 Da
Monoisotopic Mass161.007 Da
Topological Polar Surface Area41.100 Ų
Heavy Atom Count9
Formal Charge0
Complexity89.100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Bei Tan, Jie Chen, Siyuan Qin, Chuyao Liao, Ying Zhang, Di Wang, Siqi Li, Zunjian Zhang, Pei Zhang, Fengguo Xu.  (2021)  Tryptophan Pathway-Targeted Metabolomics Study on the Mechanism and Intervention of Cisplatin-Induced Acute Kidney Injury in Rats.  CHEMICAL RESEARCH IN TOXICOLOGY,      [PMID:34110802] [10.1021/acs.chemrestox.1c00110]
Calculadoras de soluciones
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