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3-BIPHENYL-3',4'-DIFLUORO-ACETIC ACID is a synthetic organic compound with the molecular formula C14H9F2O2. It is a difluoroacetic acid derivative featuring a biphenyl group attached to the acetic acid moiety. This versatile chemical intermediate is recognized for its potential applications in pharmaceuticals, agrochemicals, and as a ligand in catalyst development for organic synthesis.

866108-76-1

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866108-76-1 Usage

Uses

Used in Pharmaceutical Industry:
3-BIPHENYL-3',4'-DIFLUORO-ACETIC ACID is used as a building block for the synthesis of various pharmaceuticals due to its ability to inhibit the growth of certain types of cancer cells. It is being actively researched for its potential use in cancer treatment, offering a promising avenue for developing new therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, 3-BIPHENYL-3',4'-DIFLUORO-ACETIC ACID serves as a key intermediate in the development of compounds designed to protect crops and enhance agricultural productivity. Its incorporation into agrochemicals can contribute to the creation of more effective and targeted pest control solutions.
Used in Catalyst Development for Organic Synthesis:
3-BIPHENYL-3',4'-DIFLUORO-ACETIC ACID is utilized as a ligand in the development of catalysts for organic synthesis. Its unique structure and reactivity make it a valuable component in designing catalysts that can improve the efficiency and selectivity of various chemical reactions, thereby advancing the field of organic chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 866108-76-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,6,6,1,0 and 8 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 866108-76:
(8*8)+(7*6)+(6*6)+(5*1)+(4*0)+(3*8)+(2*7)+(1*6)=191
191 % 10 = 1
So 866108-76-1 is a valid CAS Registry Number.
InChI:InChI=1/C14H10F2O2/c15-12-5-4-11(8-13(12)16)10-3-1-2-9(6-10)7-14(17)18/h1-6,8H,7H2,(H,17,18)

866108-76-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[3-(3,4-difluorophenyl)phenyl]acetic acid

1.2 Other means of identification

Product number -
Other names (3',4'-difluoro-biphenyl-3-yl)-acetic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:866108-76-1 SDS

866108-76-1Downstream Products

866108-76-1Relevant academic research and scientific papers

Bisphosphonate inhibition of the exopolyphosphatase activity of the Trypanosoma brucei soluble vacuolar pyrophosphatase

Kotsikorou, Evangelia,Song, Yongcheng,Chan, Julian M. W.,Faelens, Stephanie,Tovian, Zev,Broderick, Erin,Bakalara, Norbert,Docampo, Roberta,Oldfield, Eric

, p. 6128 - 6139 (2007/10/03)

Trypanosoma brucei, the causative agent of African trypanosomiasis, contains a soluble, vacuolar pyrophosphatase, TbVSP1, not present in humans, which is essential for the growth of bloodstream forms in their mammalian host. Here, we report the inhibition of a recombinant TbVSP1 expressed in Escherichia coli by a panel of 81 bisphosphonates. The IC50 values were found to vary from ~2 to 850 μM. We then used 3D QSAR (comparative molecular field and comparative molecular similarity index; CoMFA and CoMSIA) methods to analyze the enzyme inhibition results. The R2 values for the experimental versus the QSAR-predicted activities were 0.78 or 0.61 for CoMFA and 0.79 or 0.68 for CoMSIA, for two different alignments. The root-mean-square (rms) pIC50 error for the best CoMFA model was 0.41 for five test sets of five activity predictions, which translates to a factor of ~2.6 error in IC50 prediction. For CoMSIA, the rms pIC50 error and error factors were 0.35 and 2.2, respectively. In general, the most active compounds contained both a single aromatic ring and a hydrogen bond donor feature. Thirteen of the more potent compounds were then tested in vivo in a mouse model of T. brucei infection. The most active compound in vivo provided a 40% protection from death with no apparent side effects, suggesting that further development of such compounds may be of interest.

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