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 분자식: C₂₇H₂₁F₃N₂O₅S 분자량: 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

동의어

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

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

ANTAGONIST, INHIBITOR

작동 메커니즘

Transient receptor potential cation channel subfamily M member 8 inhibitor

제품 특성

• ALogP: 6.3

이름과 식별자

• 정식 스마일: 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)
• 이성체 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
• 분자량: 542.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

작용 메커니즘