227275-21-0

Basic information

• Product Name: dimethyl 3-amino-3',4-oxydibenzoate
• Synonyms: dimethyl 3-amino-3',4-oxydibenzoate
• CAS NO: 227275-21-0
• Molecular Weight: 301.299
• Mol File: 227275-21-0.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: dimethyl 3-amino-3',4-oxydibenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: dimethyl 3-amino-3',4-oxydibenzoate(227275-21-0)
• EPA Substance Registry System: dimethyl 3-amino-3',4-oxydibenzoate(227275-21-0)

Safety Data

• Hazardous Substances Data: 227275-21-0(Hazardous Substances Data)

Upstream product

• 329-59-9 4-fluoro-3-nitro-benzoic acid methyl ester 
• 19438-10-9 methyl 3-hydroxybenzoate 
• 227275-00-5 dimethyl 3-nitro-3',4-oxydibenzoate 

Downstream Products

• 365425-44-1 dimethyl 3-(3-nitrobenzoylamino)-3',4-oxydibenzoate 
• 365425-45-2 dimethyl 3-(2-nitrobenzoylamino)-3',4-oxydibenzoate 
• 227275-06-1 dimethyl 3-[3-(4-benzyloxycarbonylaminophenyl)propionylamino]-3',4-oxydibenzoate 
• 227275-14-1 dimethyl 3-[3-(4-octadecanoylaminophenyl)propionylamino]-3',4-oxydibenzoate 
• 227275-15-2 dimethyl 3-[(4-octadecanoylaminophenyl)acetylamino]-3',4-oxydibenzoate 
• 365425-47-4 dimethyl 3-(2-octadecanoylaminobenzoylamino)-3',4-oxydibenzoate 
• 365425-46-3 dimethyl 3-(3-octadecanoylaminobenzoylamino)-3',4-oxydibenzoate 
• 365425-51-0 dimethyl 3-[4-[(9Z,12Z)-9,12-octadecadienoylamino]benzoylamino]-3',4-oxydibenzoate 
• 365425-48-5 dimethyl 3-(4-hexadecanoylaminobenzoylamino)-3',4-oxydibenzoate 
• 365425-50-9 dimethyl 3-[4-(2-heptylnonanoyl)aminobenzoylamino]-3',4-oxydibenzoate 
• 365425-49-6 dimethyl 3-(4-tetradecanoylaminobenzoylamino)-3',4-oxydibenzoate 
• 227275-26-5 dimethyl 3-[3-(4-aminophenyl)propionylamino]-3',4-oxydibenzoate 
• 227275-27-6 3-[2-(4-Amino-phenyl)-acetylamino]-4-(3-methoxycarbonyl-phenoxy)-benzoic acid methyl ester 

Relevant articles and documents

Study on selectin blocker. 8. Lead discovery of a non-sugar antagonist using a 3D-pharmacophore model

We have developed a pharmacophore model of a ligand/E-selectin complex to screen drug candidates for selectin blockers. In a series of sugar mimetic studies of the E-selectin ligand, sialyl Lewis X (sLe(x)), we have already found a potent compound, a sulfated Le(x) analogue (1), and also have proposed how compound I binds to E-selectin (Tsujishita, H.; Hiramatsu, Y.; Kondo, N.; Ohmoto, H.; Kondo, H.; Kiso, M.; Hasegawa, A. J. Med. Chem. 1997, 40, 362-369). To find drug candidates that fit into the binding pocket of E- selectin, we constructed an original 3D-pharmacophore model from structural information of a compound 1/E-selectin complex model and screened lead compounds for selectin blockers using a commercially available database ACD- 3D. As a result, we discovered a lead compound (2) containing good selectin inhibitory activity, and in addition, we succeeded to preliminarily optimize it to a more active lead compound (3) with micromolar IC50 values, based on the 3D-pharmacophore model investigation. This methodology using the 3D- pharmacophore model could be applicable as a pre-screen system for selectin blockers.