884507-41-9

Basic information

• Product Name: 3-(pyrrolidin-1-ylmethyl)benzoic acid
• Synonyms: 3-(pyrrolidin-1-ylmethyl)benzoic acid;AKOS BBV-013213;OTAVA-BB 7020681523;UKRORGSYN-BB BBV-013213;3-(1-Pyrrolidylmethyl)benzoic Acid;3-(1-PyrrolidinylMethyl)-benzoic acid
• CAS NO: 884507-41-9
• Molecular Formula: C₁₂H₁₅NO₂
• Molecular Weight: 205.26
• Mol File: 884507-41-9.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-(pyrrolidin-1-ylmethyl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(pyrrolidin-1-ylmethyl)benzoic acid(884507-41-9)
• EPA Substance Registry System: 3-(pyrrolidin-1-ylmethyl)benzoic acid(884507-41-9)

Safety Data

• Hazardous Substances Data: 884507-41-9(Hazardous Substances Data)

Upstream product

• 321198-22-5 methyl 3-[(pyrrolidin-1-yl)methyl]-benzoate 
• 123-75-1 pyrrolidine 
• 619-21-6 m-formylphenyl benzoic acid 

Downstream Products

• 942347-63-9 C₁₂H₁₄ClNO 
• 91271-59-9 (3-(pyrrolidin-1-ylmethyl)phenyl)methanol 

Relevant articles and documents

New acyl derivatives of 3-aminofurazanes and their antiplasmodial activities

An N-acylated furazan-3-amine of a Medicines for Malaria Venture (MMV) project has shown activity against different strains of Plasmodium falciparum. Seventeen new derivatives were prepared and tested in vitro for their activities against blood stages of two strains of Plasmodium falciparum. Several structure–activity relationships were revealed. The activity strongly depended on the nature of the acyl moiety. Only benzamides showed promising activity. The substitution pattern of their phenyl ring affected the activity and the cytotoxicity of compounds. In addition, physicochemical parameters were calculated (log P, log D, ligand efficiency) or determined experimentally (permeability) via a PAMPA. The N-(4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl)-3(trifluoromethyl)benzamide possessed good physicochemical properties and showed high antiplasmodial activity against a chloroquine-sensitive strain (IC50 (NF54) = 0.019 μM) and even higher antiplasmodial activity against a multiresistant strain (IC50 (K1 ) = 0.007 μM). Compared to the MMV compound, the permeability and the activity against the multiresistant strain were improved.

A Developability-Focused Optimization Approach Allows Identification of in Vivo Fast-Acting Antimalarials: N -[3-[(Benzimidazol-2-yl)amino]propyl]amides

Malaria continues to be a major global health problem, being particularly devastating in the African population under the age of five. Artemisinin-based combination therapies (ACTs) are the first-line treatment recommended by the WHO to treat Plasmodium falciparum malaria, but clinical resistance against them has already been reported. As a consequence, novel chemotypes are urgently needed. Herein we report a novel, in vivo active, fast-acting antimalarial chemotype based on a benzimidazole core. This discovery is the result of a medicinal chemistry plan focused on improving the developability profile of an antichlamydial chemical class previously reported by our group. (Graph Presented).