VX-150 - ≥98% , CAS No.1793080-72-4

CAS: 1793080-72-4 Cat. No.: V412695 분자식: C₂₁H₁₇F₄N₂O₇P 분자량: 516.34 PubChem CID: 118126601

등급 & 순도 ≥98%

Synonyms

EOS-62073

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

VX-150 (EOS-62073), a NaV1.8 blocker, is currently in a phase II clinical trial for the treatment of patients with acute pain. VX-150 significantly alleviates postoperative pain.

사양

동의어

EOS-62073

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

VX-150 (EOS-62073), a NaV1.8 blocker, is currently in a phase II clinical trial for the treatment of patients with acute pain. VX-150 significantly alleviates postoperative pain.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥98%

이름과 식별자

Pubchem Sid

504772853

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772853

정식 스마일

CC1=C(C=CC(=C1)F)OC2=C(C=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=O)N(C=C3)COP(=O)(O)O

IUPAC Name

[4-[[2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzoyl]amino]-2-oxopyridin-1-yl]methyl dihydrogen phosphate

InChIKey

SQDQNNKQTHOQHO-UHFFFAOYSA-N

INCHI

1S/C21H17F4N2O7P/c1-12-8-14(22)3-5-17(12)34-18-9-13(21(23,24)25)2-4-16(18)20(29)26-15-6-7-27(19(28)10-15)11-33-35(30,31)32/h2-10H,11H2,1H3,(H,26,29)(H2,30,31,32)

이성체 SMILES

CC1=C(C=CC(=C1)F)OC2=C(C=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=O)N(C=C3)COP(=O)(O)O

PubChem CID

118126601

분자량

516.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Trifluoromethylbenzenes Benzamides Phenol ethers Benzoyl derivatives Monoalkyl phosphates Hydroxypyridines Fluorobenzenes Dihydropyridines N-acyl amines Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Vinyl fluorides Fluoroalkenes Ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylether - Trifluoromethylbenzene - Benzoic acid or derivatives - Benzamide - Phenol ether - Benzoyl - Hydroxypyridine - Monoalkyl phosphate - Halobenzene - Fluorobenzene - Dihydropyridine - Alkyl phosphate - Pyridine - Phosphoric acid ester - Organic phosphoric acid derivative - N-acyl-amine - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Fluoroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl fluoride - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 516.299 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 516.071 Da
• Monoisotopic Mass: 516.071 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 907.000
• 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