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(E)-3-(3,5-Dichlorophenyl)propenoic acid, also known as (E)-3-(3,5-dichlorophenyl)acrylic acid, is a chemical compound with the molecular formula C9H6Cl2O2. It is a derivative of acrylic acid and is recognized for its potential applications in the pharmaceutical and agricultural industries due to its anti-inflammatory properties and herbicidal activity.

20595-53-3

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20595-53-3 Usage

Uses

Used in Pharmaceutical Industry:
(E)-3-(3,5-Dichlorophenyl)propenoic acid is used as an intermediate compound for the synthesis of various pharmaceuticals. Its anti-inflammatory properties make it a promising candidate for the development of medications aimed at treating different inflammatory conditions.
Used in Agricultural Industry:
(E)-3-(3,5-Dichlorophenyl)propenoic acid is used as an active ingredient in the development of herbicides. Its herbicidal activity contributes to the control of unwanted plant growth, making it a valuable component in the agricultural sector for enhancing crop productivity and yield.

Check Digit Verification of cas no

The CAS Registry Mumber 20595-53-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,0,5,9 and 5 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 20595-53:
(7*2)+(6*0)+(5*5)+(4*9)+(3*5)+(2*5)+(1*3)=103
103 % 10 = 3
So 20595-53-3 is a valid CAS Registry Number.
InChI:InChI=1/C9H6Cl2O2/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h1-5H,(H,12,13)/b2-1+

20595-53-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(3,5-dichlorophenyl)prop-2-enoic acid

1.2 Other means of identification

Product number -
Other names 3-(3,5-dichlorophenyl)-acrylic 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:20595-53-3 SDS

20595-53-3Relevant academic research and scientific papers

NOVEL SALTS OF SELECTIVE ESTROGEN RECEPTOR DEGRADERS

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Paragraph 0146, (2020/07/14)

Provided herein are compounds, salts, crystalline forms, and pharmaceutical compositions that are related to Selective Estrogen Receptor Degraders, as well as methods of preparing the same. Also provided herein are methods of using the compounds, salts, crystalline forms, and pharmaceutical compositions for the treatment of diseases or disorders, such as breast cancer.

Development of sulfonamides incorporating phenylacrylamido functionalities as carbonic anhydrase isoforms I, II, IX and XII inhibitors

Angapelly, Srinivas,Ramya, P.V. Sri,Angeli, Andrea,Del Prete, Sonia,Capasso, Clemente,Arifuddin, Mohammed,Supuran, Claudiu T.

, p. 5726 - 5732 (2017/10/09)

A series of novel sulfonamides incorporating phenylacrylamido functionalities were synthesized and investigated for the inhibition of the metalloenzyme carbonic anhydrase (CA, EC 4.2.1.1). The physiologically and pharmacologically relevant human (h) isoforms hCA I and II (cytosolic isozymes), as well as the transmembrane tumor-associated hCA IX and XII were included in the study. These compounds showed low nanomolar or sub-nanomolar inhibition constants against hCA II (KIs in the range of 0.50–50.5 nM), hCA IX (KIs of 1.8–228.5 nM), and hCA XII (KIs of 3.5–96.2 nM) being less effective as inhibitors of the off target isoform hCA I. A detailed structure–activity relationship study demonstrates that the nature and position of substituents present on the aromatic part of the scaffold strongly influence the inhibition of CA isoforms. As hCA II, IX and XII are involved in pathologies such as glaucoma and hypoxic, and metastatic tumors, compounds of the type reported in this work may be useful preclinical candidates.

Telescopic one-pot condensation-hydroamination strategy for the synthesis of optically pure L-phenylalanines from benzaldehydes

Parmeggiani, Fabio,Ahmed, Syed T.,Weise, Nicholas J.,Turner, Nicholas J.

, p. 7256 - 7262 (2016/10/26)

A chemo-enzymatic telescopic approach was designed for the synthesis of L-arylalanines in high yield and optical purity, starting from commercially available and inexpensive substituted benzaldehydes. The method exploits a chemical Knoevenagel–Doebner condensation (optimised to give complete conversions in a short reaction time, employing microwave irradiation) and a biocatalytic phenylalanine ammonia lyase mediated hydroamination (for the stereoselective addition of ammonia). The two reactions can be run sequentially in one pot, bringing together the advantages of chemical and biological catalysis. The preparative applicability was demonstrated with the synthesis of five L-dihalophenylalanines (71–84% yield, 98–99% ee) of relevance as molecular probes, for medicinal chemistry and for the synthesis of pharmaceutical ingredients.

Design, synthesis and cytotoxic evaluation of novel imatinib amide derivatives that target Abl kinase

Yao, Ri-Sheng,Guan, Qiu-Xiang,Lu, Xiao-Qin,Ruan, Ban-Feng

, p. 20 - 28 (2015/03/31)

Novel imatinib amide derivatives (a1-28, b1-9) were synthesized and evaluated for their biological activities. All compounds were characterized by 1H NMR, MS and elemental analysis. Among all the derivatives, compounds a4, a10, a21, b1 and b2 displayed the most significant ability of inhibiting K562 cell proliferation with the IC50 values of 0.67, 0.66, 0.65, 0.59 and 0.62 μM, respectively, indicating that these compounds were potent inhibitors of Bcr-Abl in leukemic K562 cells, comparable to the reference compound imatinib. Molecular docking study was performed to position compounds a21 and b1 into the active site of Abl to determine the probable binding modes

Autotaxin inhibitors

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Page/Page column, (2014/06/25)

The present invention relates to novel compounds that are autotaxin inhibitors, processes for their preparation, pharmaceutical compositions and medicaments containing them and to their use in diseases and disorders mediated by autotaxin.

PHARMACEUTICALLY ACTIVE BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES

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Page 39, (2010/02/07)

Compounds of formula (I): wherein R1, R2 and R3 are independently, hydrogen, halogen, CF3, OR6, NR7R8, NR8COR10, NR8SO2R10 or C1-6 alkyl optionally substituted by hydroxy, C1-6 alkoxy or NR7R8; R4 is NR8CONR8R9, NR8COR9, NR8SO2R9, or W-CONR8R9, where W is a bond, C1-6 alkylene, C2-6 alkenylene or C2-6 alkynylene; and R5 is Formula (A) methods for their synthesis, pharmaceutical compositions comprising them and their use in medicine, in particular for the treatment of cancer.

Indanylidenes. 2. Design and synthesis of (E)-2-(4-chloro-6-fluoro-1-indanylidene)-N-methylacetamide, a potent antiinflammatory and analgesic agent without centrally acting muscle relaxant activity

Musso, David L.,Orr, G. Faye,Cochran, Felicia R.,Kelley, James L.,Selph, Jeffrey L.,Rigdon, Greg C.,Cooper, Barrett R.,Jones, Michael L.

, p. 409 - 416 (2007/10/03)

Extension of the structure-activity relationship studies that led to the discovery of the nonsedating potent muscle relaxant, antiinflammatory, and analgesic agent (E)-2-(4,6-difluoro-1-indanylidene)acetamide, 1, has given rise to (E)-2-(4-chloro-6-fluoro

Method for treating glaucoma

-

, (2008/06/13)

Methods of using prostaglandin agonists for the reduction of intraocular pressure, and accordingly glaucoma.

Prevention of loss and restoration of bone mass by certain prostaglandin agonists

-

, (2008/06/13)

Prostaglandin agonists of formula (I), in which, for example, A is a sulphonyl or acyl group, B is N or CH, M contains a ring and K and Q are linking groups, methods of using such prostaglandin agonists, pharmaceutical compositions containing such prostaglandin agonists and kits useful for the treatment of bone disorders including osteoporosis. STR1

DOPAMINE-BETA-HYDROXYLASE INHIBITORS

-

, (2008/06/13)

Potent DBH inhibitors having the formula can be used to inhibit DBH activity in mammals.

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