elismetrep - Moligand™ , Transient receptor potential cation channel subfamily M member 8 inhibitor, CAS No.1400699-64-0, Transient receptor potential cation channel subfamily M member 8 inhibitor

CAS: 1400699-64-0 Cat. No.: E610100 分子式: C₂₇H₂₁F₃N₂O₅S 分子量: 542.5 PubChem CID: 66548125

GRADE & PURITY Moligand™

Synonyms

Elismetrep [USAN] | 4-((4-CYCLOPROPYLISOQUINOLIN-3-YL) (4-(TRIFLUOROMETHOXY) BENZYL) SULFAMOYL) BENZOIC ACID | US8987445, 104 | AKOS040748314 | CWEFDWIKLABKBX-UHFFFAOYSA-N | D11448 | Elismetrep | 4-[(4-cyclopropylisoquinolin-3-yl)-[[4-(trifluoromethoxy)ph

Storage

Room temperature

Specifications

同義語

Elismetrep [USAN] | 4-((4-CYCLOPROPYLISOQUINOLIN-3-YL) (4-(TRIFLUOROMETHOXY) BENZYL) SULFAMOYL) BENZOIC ACID | US8987445, 104 | AKOS040748314 | CWEFDWIKLABKBX-UHFFFAOYSA-N | D11448 | Elismetrep | 4-[(4-cyclopropylisoquinolin-3-yl)-[[4-(trifluoromethoxy)ph

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

ANTAGONIST, INHIBITOR

作用メカニズム

Transient receptor potential cation channel subfamily M member 8 inhibitor

製品の性質

• ALogP: 6.3

名前と識別子

• カノニカル・スマイル: OC(=O)c1ccc(cc1)S(=O)(=O)N(c1ncc2c(c1C1CC1)cccc2)Cc1ccc(cc1)OC(F)(F)F
• IUPAC Name: 4-[(4-cyclopropylisoquinolin-3-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoic acid
• InChIKey: CWEFDWIKLABKBX-UHFFFAOYSA-N
• INCHI: 1S/C27H21F3N2O5S/c28-27(29,30)37-21-11-5-17(6-12-21)16-32(38(35,36)22-13-9-19(10-14-22)26(33)34)25-24(18-7-8-18)23-4-2-1-3-20(23)15-31-25/h1-6,9-15,18H,7-8,16H2,(H,33,34)
• 異性体SMILES: C1CC1C2=C(N=CC3=CC=CC=C32)N(CC4=CC=C(C=C4)OC(F)(F)F)S(=O)(=O)C5=CC=C(C=C5)C(=O)O
• PubChem CID: 66548125
• 分子量: 542.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Isoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives Pyridines and derivatives Organosulfonamides Imidolactams Aminosulfonyl compounds Heteroaromatic compounds Trihalomethanes Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organofluorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Alkyl fluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - Isoquinoline - Benzoic acid or derivatives - Benzoic acid - Benzenesulfonyl group - Phenoxy compound - Benzoyl - Phenol ether - Monocyclic benzene moiety - Pyridine - Organosulfonic acid amide - Imidolactam - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Trihalomethane - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Halomethane - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
• 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

関連ターゲット（人間）

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)

作用メカニズム