50604-00-7

Basic information

• Product Name: methyl 3-ethylbenzoate
• Synonyms: methyl 3-ethylbenzoate
• CAS NO: 50604-00-7
• Molecular Formula: C₁₀H₁₂O₂
• Molecular Weight: 164.20108
• Mol File: 50604-00-7.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: methyl 3-ethylbenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 3-ethylbenzoate(50604-00-7)
• EPA Substance Registry System: methyl 3-ethylbenzoate(50604-00-7)

Safety Data

• Hazardous Substances Data: 50604-00-7(Hazardous Substances Data)

Upstream product

• 67-56-1 methanol 
• 619-20-5 m-ethylbenzoic acid 
• 97-94-9 triethyl borane 
• 618-89-3 methyl 3-bromobenzoate 

Downstream Products

• 82657-69-0 (3-ethylphenyl)methanol 

Relevant articles and documents

5-Phenyl-1,3,4-oxadiazol-2(3 H)-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit

Carboxylesterase Notum is a negative regulator of the Wnt signaling pathway. There is an emerging understanding of the role Notum plays in disease, supporting the need to discover new small-molecule inhibitors. A crystallographic X-ray fragment screen was performed, which identified fragment hit 1,2,3-Triazole 7 as an attractive starting point for a structure-based drug design hit-To-lead program. Optimization of 7 identified oxadiazol-2-one 23dd as a preferred example with properties consistent with drug-like chemical space. Screening 23dd in a cell-based TCF/LEF reporter gene assay restored the activation of Wnt signaling in the presence of Notum. Mouse pharmacokinetic studies with oral administration of 23dd demonstrated good plasma exposure and partial blood-brain barrier penetration. Significant progress was made in developing fragment hit 7 into lead 23dd (>600-fold increase in activity), making it suitable as a new chemical tool for exploring the role of Notum-mediated regulation of Wnt signaling.

THERAPEUTIC SUBSTITUTED CYCLOPENTANES

Disclosed herein are compounds represented by a formula: Therapeutic methods, compositions, and medicaments related thereto are also disclosed.

AZABICYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY

Compounds of formula (I), and salts and prodrugs thereof STR1 wherein Q is the residue of an optionally substituted azabicyclic ring system;X represents oxa or thia;Y represents H or hydroxy;R 1 and R. sup.2 independently represent phenyl or thienyl, either of which groups may be optionally substituted by halo or trifluoromethyl;R 3, R 4 and R 5 independently represent H, C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, halo, cyano, nitro, trifluoromethyl, trimethylsilyl,--OR a, SCH 3, SOCH 3, SO. sub.2 CH 3,--NR a R b,--NR a COR b,--NR a CO. sub.2 R b,--CO. sub.2 R a or--CONR a R b ;R a and R. sup.b independently represent H, C 1-6 alkyl, phenyl or trifluoromethyl, are tachykinin antagonists. They and compositions thereof are therefore useful in therapy.