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 Formula: C6H8ClNS Peso molecolare: 161.65 Numero EC: 208-565-7
Disponibile su ordine
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
★
Size
Germania (EU)
USA*
Price
Qty
1g
C348069-1g
Su ordinazione · 8–12 settimane

123,13€

160,44€
Salva 37,31 € (23.26%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Specifications

Sinonimi
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
Condizioni di conservazione di stoccaggio
Room temperature
Spedito in
Normal
Tipo di azione
POSITIVE ALLOSTERIC MODULATOR
Meccanismo d'azione
GABA-A receptor; anion channel positive allosteric modulator
Proprietà del prodotto
ALogP2.1
Nomi e identificatori
Sorrisi canoniciCC1=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
Isomeri SMILES CC1=C(SC=N1)CCCl
Peso molecolare 161.65
Reaxy-Rn 114244
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114244&ln=

Documentazione

📋 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
ClasseAzoles
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
DescrizioneThis 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
Struttura 3D
Modello di struttura chimica interattiva





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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
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CYP2E1 Tchem Cytochrome P450 2E1 (2174 Activities)
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Homo sapiens (32628 Activities)
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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
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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
Obiettivi associati (non umani)
Hippocampus (57 Activities)
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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
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Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare161.650 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
Riferimenti
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]
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Domande frequenti

How should this product be stored?
Store at room temperature.
How is this product shipped?
This product ships under standard ambient conditions. No temperature-controlled packaging is required.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 533-45-9, the molecular formula is C6H8ClNS, and the molecular weight is 161.65 g/mol. InChIKey PCLITLDOTJTVDJ-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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