254681

Sigma-Aldrich

3,5-Dichlorosalicylic acid

97%

Synonym(s):
3,5-Dichloro-2-hydroxybenzoic acid
Linear Formula:
Cl2C6H2(OH)CO2H
CAS Number:
Molecular Weight:
207.01
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

mp

220-222 °C (lit.)

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

Related Categories

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.

Packaging

25 g in poly bottle

Other Notes

Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 254681.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

hazcat

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

storage_class_code

11 - Combustible Solids

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

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)...
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...
Armelle Tchoumi Neree et al.
Scientific reports, 10(1), 21563-21563 (2020-12-11)
Excess of histamine in gut lumen generates a pronounced gastrointestinal discomfort, which may include diarrhea and peristalsis dysfunctions. Deleterious effects of histamine can be alleviated with antihistamine drugs targeting histamine receptors. However, many antihistamine agents come with various undesirable side...
Zhenxuan Zhang et al.
Water research, 170, 115283-115283 (2019-11-19)
Halogenated aromatic disinfection byproducts (DBPs) are a new group of emerging DBPs identified recently. They have been detected in disinfected drinking water, wastewater effluents, recreational water and oil/gas produced water, at concentrations of ng/L to μg/L in general. Previously studies...
Shaoyang Hu et al.
Chemosphere, 228, 668-675 (2019-05-10)
As the first identified category of disinfection byproducts (DBPs), trihalomethanes (THMs) have received continuous attention. Previous studies have demonstrated that the transformation of aromatic halogenated DBPs during chlor (am)ination resulted in the formation of THMs, which may occur in both...

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