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Merck
CN

254681

3,5-二氯水杨酸

97%

别名:

3,5-二氯邻羟基苯甲酸

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关于此项目

线性分子式:
Cl2C6H2(OH)CO2H
化学文摘社编号:
分子量:
207.01
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
206-281-8
MDL number:
Assay:
97%
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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

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signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

法规信息

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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)
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



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货号GTIN
254681-25G04061831819359