JT010 - Moligand™, ≥98%(HPLC) , Activator of TRPA1, CAS No.917562-33-5, Activator of TRPA1

CAS: 917562-33-5 Cat. No.: J288931 Fórmula: C₁₆H₁₉ClN₂O₃S Peso molecular: 354.85

GRAU & PUREZA Moligand™, ≥98%(HPLC)

Synonyms

JT010|JT-010|2-Chloro-N-(4-(4-methoxyphenyl)thiazol-2-yl)-N-(3-methoxypropyl)acetamide|2-Chloro-N-(4-(4-methoxyphenyl)thiazol-2-yl)-N-(3-methoxypropyl)-acetamide|2-Chloro-N-[4-(4-methoxyphenyl)-2-thiazolyl]-N-(3-methoxypropyl)acetamide|2-Chloro-N-[4-(4-methoxyphenyl)-2-thiazolyl]-N-(3-methoxypropyl)-acetamide|molecule 1 [PMID: 26630251]|2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

JT010 | JT-010 | 2-Chloro-N-(4-(4-methoxyphenyl)thiazol-2-yl)-N-(3-methoxypropyl)acetamide | 2-Chloro-N-(4-(4-methoxyphenyl)thiazol-2-yl)-N-(3-methoxypropyl)-acetamide | 2-Chloro-N-[4-(4-methoxyphenyl)-2-thiazolyl]-N-(3-methoxypropyl)acetamide | 2-Chloro-N-[4-(4-methoxyphenyl)-2-thiazolyl]-N-(3-methoxypropyl)-acetamide | molecule 1 [PMID: Show more

Especificações e pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Potent and selective TRPA1 channel activator (EC50= 0.65 nM); activates the TRPA1 channel by covalently and site-selectively binding to Cys621. Exhibits selectivity for TRPA1 over TRPV1, TRPV3, TRPV4, TRPM2, TRPM8, and TRPC5 channels (EC50values are >1 μM

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

ACTIVATOR

Mecanismo de ação

Activator of TRPA1

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

488199629

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199629

Sorrisos canónicos

COCCCN(C1=NC(=CS1)C2=CC=C(C=C2)OC)C(=O)CCl

IUPAC Name

2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide

InChIKey

KZMAWJRXKGLWGS-UHFFFAOYSA-N

INCHI

1S/C16H19ClN2O3S/c1-21-9-3-8-19(15(20)10-17)16-18-14(11-23-16)12-4-6-13(22-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3

SMILES isoméricas

COCCCN(C1=NC(=CS1)C2=CC=C(C=C2)OC)C(=O)CCl

Peso molecular

354.85

Reaxy-Rn

29060208

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29060208&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes 2,4-disubstituted thiazoles Alkyl aryl ethers Tertiary carboxylic acid amides Chloroacetamides Heteroaromatic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Alkyl chlorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Monocyclic benzene moiety - Azole - Chloroacetamide - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Alkyl halide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Alkyl chloride - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (humanos)

TRPA1 Tclin Transient receptor potential cation channel subfamily A member 1 (1 Activities)

Discover Target: TRPA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 35.48, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 17.74, Max Conc. mM: 50
• Peso molecular: 354.900 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 354.08 Da
• Monoisotopic Mass: 354.08 Da
• Topological Polar Surface Area: 79.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 367.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 917562-33-5, the molecular formula is C16H19ClN2O3S, and the molecular weight is 354.85 g/mol. InChIKey KZMAWJRXKGLWGS-UHFFFAOYSA-N.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

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.