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Sigma-Aldrich

3,5-Dichlorosalicylic acid

97%

Synonyma:

3,5-Dichloro-2-hydroxybenzoic acid

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About This Item

Lineární vzorec:
Cl2C6H2(OH)CO2H
Číslo CAS:
Molekulová hmotnost:
207.01
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

mp

220-222 °C (lit.)

functional group

carboxylic acid
chloro

SMILES string

OC(=O)c1cc(Cl)cc(Cl)c1O

InChI

1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)

InChI key

CNJGWCQEGROXEE-UHFFFAOYSA-N

General description

3,5-Dichlorosalicylic acid is a bio-active drug and its interaction with a model transport protein bovine serum albumin has been investigated. It is a potential inhibitor of human 20α-hydroxysteroid dehydrogenase.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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Vincenzo Carbone et al.
Archives of biochemistry and biophysics, 479(1), 82-87 (2008-09-11)
The structure of aldehyde reductase (ALR1) in ternary complex with the coenzyme NADPH and 3,5-dichlorosalicylic acid (DCL), a potent inhibitor of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1), was determined at a resolution of 2.41A. The inhibitor formed a network of hydrogen bonds
Bijan Kumar Paul et al.
Physical chemistry chemical physics : PCCP, 14(25), 8892-8902 (2012-02-07)
The present work demonstrates a detailed characterization of the interaction of a bio-active drug molecule 3,5-dichlorosalicyclic acid (3,5DCSA) with a model transport protein Bovine Serum Albumin (BSA). The drug molecule is a potential candidate exhibiting Excited-State Intramolecular Proton Transfer (ESIPT)
Armelle Tchoumi Neree et al.
Scientific reports, 10(1), 21563-21563 (2020-12-11)
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