WS 12 - Moligand™, 10mM in DMSO , Activator of TRPM8, CAS No.68489-09-8, Activator of TRPM8

CAS: 68489-09-8 Cat. No.: W425448 Fórmula: C₁₈H₂₇NO₂ Peso molecular: 289.42 Número CE: 700-232-9 PubChem CID: 11266244

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

[1R,2S,5R]-N-(4-Methoxyphenyl)-p-menthanecarboxamide | Fema No. 4681 | E77039 | BDBM50442649 | KXS | AR-15512 | N-(4-Methoxyphenyl)-5-methyl-2- (1-methylethyl)cyclohexanecarboxamide, (1R,2S,5R)- | DTXSID10460636 | GTPL4343 | acoltremon [INN] | (1R,2S,5R)-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

[1R,2S,5R]-N-(4-Methoxyphenyl)-p-menthanecarboxamide | Fema No. 4681 | E77039 | BDBM50442649 | KXS | AR-15512 | N-(4-Methoxyphenyl)-5-methyl-2- (1-methylethyl)cyclohexanecarboxamide, (1R,2S,5R)- | DTXSID10460636 | GTPL4343 | acoltremon [INN] | (1R,2S,5R)-

Especificações e pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos e fisiológicos

Potent, selective TRPM8 agonist (EC 50 = 193 nM). Increases intracellular Ca 2+ concentration. Reduces epidermal proliferation associated with barrier disruption. Shows cooling effects in vivo.

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

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 TRPM8

Nomes e identificadores

• Pubchem Sid: 528768457
• Sorrisos canónicos: CC1CCC(C(C1)C(=O)NC2=CC=C(C=C2)OC)C(C)C
• IUPAC Name: (1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
• InChIKey: HNSGVPAAXJJOPQ-XOKHGSTOSA-N
• INCHI: 1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)18(20)19-14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16+,17-/m1/s1
• SMILES isoméricas: C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)OC)C(C)C
• PubChem CID: 11266244
• Peso molecular: 289.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Menthane monoterpenoids Methoxyanilines Anilides Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aromatic monoterpenoid - Monocyclic monoterpenoid - P-menthane monoterpenoid - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Methoxybenzene - N-arylamide - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
• 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)

TRPM8 Tclin Transient receptor potential cation channel subfamily M member 8 (2 Activities)

Discover Target: TRPM8

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

U2OS (164939 Activities)

Explore this target

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

Alvos associados (não humanos)

Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)

Discover Target: Trpm8

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 289.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 289.204 Da
• Monoisotopic Mass: 289.204 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 334.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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