320-72-9 | 3,5-Dichlorosalicylic acid

Packsize	Purity	Availability	Price	Discounted Price
5g	95%	in stock	$14.00	$10.00
25g	95%	in stock	$34.00	$24.00
100g	95%	in stock	$79.00	$55.00
500g	95%	in stock	$246.00	$173.00

Description

• Catalog Number: AB63868
• Chemical Name: 3,5-Dichlorosalicylic acid
• CAS Number: 320-72-9
• Molecular Formula: C7H4Cl2O3
• Molecular Weight: 207.0109
• MDL Number: MFCD00002442
• SMILES: Clc1cc(Cl)c(c(c1)C(=O)O)O
• NSC Number: 30109

Computed Properties

• Complexity: 186
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 2.9

Literature

• Spectral deciphering of the interaction between an intramolecular hydrogen bonded ESIPT drug, 3,5-dichlorosalicylic acid, and a model transport protein.

  Physical chemistry chemical physics : PCCP 20120707

• Two centrosymmetric dinuclear phenanthroline-copper(II) complexes with 3,5-dichloro-2-hydroxybenzoic acid and 5-chloro-2-hydroxybenzoic acid.

  Acta crystallographica. Section C, Crystal structure communications 20120401

• On the photophysics of 3,5,6-Trichlorosalicylic acid: spectroscopic study combined with Hartree-Fock and Density Functional Theory calculations.

  Journal of fluorescence 20110501

• Probing the inhibitor selectivity pocket of human 20α-hydroxysteroid dehydrogenase (AKR1C1) with X-ray crystallography and site-directed mutagenesis.

  Bioorganic & medicinal chemistry letters 20110415

• Structure-based optimization and biological evaluation of human 20α-hydroxysteroid dehydrogenase (AKR1C1) salicylic acid-based inhibitors.

  European journal of medicinal chemistry 20101101

• Structure-guided design, synthesis, and evaluation of salicylic acid-based inhibitors targeting a selectivity pocket in the active site of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1).

  Journal of medicinal chemistry 20090528

• Correlation of binding constants and molecular modelling of inhibitors in the active sites of aldose reductase and aldehyde reductase.

  Bioorganic & medicinal chemistry 20090201

• Structure of aldehyde reductase in ternary complex with coenzyme and the potent 20alpha-hydroxysteroid dehydrogenase inhibitor 3,5-dichlorosalicylic acid: implications for inhibitor binding and selectivity.

  Archives of biochemistry and biophysics 20081101

• Selectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid.

  Journal of medicinal chemistry 20080814

• Identification of a cytochrome P450 cDNA (CYP98A5) from Phaseolus vulgaris, inducible by 3,5-dichlorosalicylic acid and 2,6-dichloro isonicotinic acid.

  Journal of plant physiology 20070401

• Salicylic acid, an ambimobile molecule exhibiting a high ability to accumulate in the phloem.

  Plant physiology 20060801

• Salicylate activity. 3. Structure relationship to systemic acquired resistance.

  Journal of agricultural and food chemistry 20051214

• Guest-controlling effects on ER behaviors of beta-cyclodextrin polymer.

  Journal of colloid and interface science 20050901

• Biochemical and molecular characterization of a ring fission dioxygenase with the ability to oxidize (substituted) salicylate(s) from Pseudaminobacter salicylatoxidans.

  The Journal of biological chemistry 20040903