405-24-3

Basic information

• Product Name: ASINEX-REAG BAS 13355090
• Synonyms: ASINEX-REAG BAS 13355090;CHEMBRDG-BB 9036552;4-[(2-fluorobenzyl)oxy]benzoic acid;Albb-008971;4-[(2-fluorobenzyl)oxy]benzoic acid(SALTDATA: FREE)
• CAS NO: 405-24-3
• Molecular Formula: C₁₄H₁₁FO₃
• Molecular Weight: 246.23
• Mol File: 405-24-3.mol
• Article Data: 5

Chemical Properties

• Melting Point: 181 °C
• Boiling Point: 396.1°C at 760 mmHg
• Flash Point: 193.4°C
• Appearance: /
• Density: 1.289g/cm³
• Vapor Pressure: 5.5E-07mmHg at 25°C
• Refractive Index: 1.589
• PKA: 4.39±0.10(Predicted)
• CAS DataBase Reference: ASINEX-REAG BAS 13355090(CAS DataBase Reference)
• NIST Chemistry Reference: ASINEX-REAG BAS 13355090(405-24-3)
• EPA Substance Registry System: ASINEX-REAG BAS 13355090(405-24-3)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 405-24-3(Hazardous Substances Data)

Usage

General Description

ASINEX-REAG BAS 13355090 is a chemical compound used in chemical synthesis and drug discovery. It is part of the ASINEX Building Blocks collection, which offers a diverse range of small molecule compounds for pharmaceutical research and development. This specific compound may be used as a building block or intermediate in the synthesis of new drug candidates or bioactive molecules. It is designed for use in medicinal chemistry, high-throughput screening, and lead optimization to support the discovery of new drugs for various therapeutic areas. ASINEX-REAG BAS 13355090 is a valuable tool for researchers and chemists working in drug discovery and development.

InChI:InChI=1/C14H11FO3/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H,16,17)

Upstream product

• 128982-48-9 methyl 4-(2-fluorobenzyloxy)benzoate 
• 446-48-0 o-fluorobenzyl bromide 

Downstream Products

• 1272317-41-5 4-(2-fluorobenzyloxy)-N-methyl-N-methoxybenzamide 
• 934240-30-9 (2S,5R)-5-(4-((2-fIuorobenzyl)oxy)phenyl)pyrrolidine-2-carboxamide 
• 934240-31-0 (2S,5R)-5-(4-((2-fluorobenzyl)oxy)phenyl)pyrrolidine-2-carboxamide monohydrochloride 
• 1272317-42-6 1-(4-[2-fluorobenzyloxy]phenyl)-2-propen-1-one 

Relevant articles and documents

Design and biological evaluation of phenyl imidazole analogs as hedgehog signaling pathway inhibitors

The hedgehog (Hh) signaling pathway is involved in diverse aspects of cellular events. Aberrant activation of Hh signaling pathway drives oncogenic transformation for a wide range of cancers, and it is therefore a promising target in cancer therapy. In the principle of association and ring-opening, we designed and synthesized a series of Hh signaling pathway inhibitors with phenyl imidazole scaffold, which were biologically evaluated in Gli-Luc reporter assay. Compound 25 was identified to possess high potency with nanomolar IC50, and moreover, it preserved the inhibition against wild-type and drug-resistant Smo-overexpressing cells. A molecular modeling study of compound 25 expounded its binding mode to Smo receptor, providing a basis for the further structural modification of phenyl imidazole analogs.

NOVEL COMPOUNDS

The present invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein R1, X, m, R2, Y, R3, Z, n, R4, A and B are as defined in the specification, processes for their prep

PROCESS FOR PREPARING ALPHA-CARBOXAMIDE DERIVATIVES

The present application provides a process for the preparation of α-carboxamide pyrrolidine derivatives of formula (I), wherein R1 and R2 are independently hydrogen, C1-6alkyl or C3-6cycloalkylC1-6alkyl; or such R1 and R2, together with the nitrogen to which they are attached, may form an unsubstituted 3-, 4-, 5- or 6-membered saturated ring; X is carbon or nitrogen; n is 0, 1 or 2, wherein when present each R5 is independently selected from the list consisting of C1-3alkyl, halogen, cyano, haloC1-3alkyl, hydroxy, C1-3alkoxy and C1-3haloalkoxy; either R6 or R7 is -O-R8, -OCHR9R8, -NCH2R8 or -(CH2)2R8 wherein the other R6 or R7 is hydrogen or R5; and wherein R8 is a phenyl ring or wherein the phenyl ring is optionally substituted by one or more groups independently selected from the list consisting of C1-3alkyl, halogen, cyano, haloC1-3alkyl, hydroxy, C1-3alkoxy and C1-3haloalkoxy; and R9 is hydrogen or C1-3alkyl.