164265-01-4

Basic information

• Product Name: 6-CHLORO-CHROMAN-3-CARBOXYLIC ACID
• Synonyms: 6-CHLORO-CHROMAN-3-CARBOXYLIC ACID;6-CHLOROCHROMANE-3-CARBOXYLIC ACID
• CAS NO: 164265-01-4
• Molecular Formula: C₁₀H₉ClO₃
• Molecular Weight: 212.63
• Mol File: 164265-01-4.mol

Chemical Properties

• Boiling Point: 394.7±42.0 °C(Predicted)
• Appearance: /
• Density: 1.403±0.06 g/cm3(Predicted)
• PKA: 4.01±0.20(Predicted)
• CAS DataBase Reference: 6-CHLORO-CHROMAN-3-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 6-CHLORO-CHROMAN-3-CARBOXYLIC ACID(164265-01-4)
• EPA Substance Registry System: 6-CHLORO-CHROMAN-3-CARBOXYLIC ACID(164265-01-4)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 164265-01-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
6-CHLORO-CHROMAN-3-CARBOXYLIC ACID is used as a starting material for the synthesis of various pharmaceutical drugs, leveraging its potential biological activities.
Used in Anticancer Applications:
6-CHLORO-CHROMAN-3-CARBOXYLIC ACID is used as an anticancer agent, contributing to the development of pharmaceutical drugs that target cancer cells and exhibit potential inhibitory effects on tumor growth and progression.
Used in Anti-inflammatory Applications:
6-CHLORO-CHROMAN-3-CARBOXYLIC ACID is used as an anti-inflammatory agent, potentially aiding in the creation of pharmaceuticals that reduce inflammation and alleviate related symptoms.
Used in Antioxidant Applications:
6-CHLORO-CHROMAN-3-CARBOXYLIC ACID is used as an antioxidant, playing a role in the formulation of pharmaceuticals that combat oxidative stress and protect cells from damage.
Used in Dye and Pigment Production:
6-CHLORO-CHROMAN-3-CARBOXYLIC ACID is used as a chemical intermediate in the production of dyes and pigments, contributing to the coloration and stability of various products.
Used in Chemical Intermediates:
6-CHLORO-CHROMAN-3-CARBOXYLIC ACID is used as a chemical intermediate in various industrial applications, facilitating the synthesis of a range of chemical products.

Upstream product

• 635-93-8 5-chlorosalicyclaldehyde 
• 885271-36-3 C₁₂H₁₃ClO₃ 
• 57544-34-0 6-chloro-2H-chromene-3-carbaldehyde 
• 83823-06-7 6-chloro-2H-1-benzopyran-3-carboxylic acid 

Downstream Products

• 1154742-99-0 6-chlorochroman-3-carboxylic acid [(R)-1-(2-fluoro-4-methanesulfonylamino-5-methylphenyl)ethyl]amide 
• 68281-66-3 (+/-)-6-chloro-2,3-dihydro-4H-1-benzopyran-3-carboxylic acid methyl ester 

Relevant articles and documents

6-Chloro-2,3-Dihydro-4H-1-Benzopyran Carboxylic Acids: Synthesis, Optical Resolution and Absolute Configuration

6-Chloro-2,3-dihydro-4H-1-benzopyran-2-carboxylic acid, a rigid analogue of clofibric acid, the active metabolite of the antilipidemic drug clofibrate, has been prepared together with two isomers, 6-chloro-2,3-dihydro-4H-1-benzopyran-3- and 4-carboxylic a

Discovery of (S)-6-methoxy-chroman-3-carboxylic acid (4-pyridin-4-yl-phenyl)-amide as potent and isoform selective ROCK2 inhibitors

ROCK1 and ROCK2 are highly homologous isoforms. Accumulated studies indicate that they have distinct different functions, and the development of isoform selective ROCK inhibitors will pave new roads for the treatment of various diseases. In this work, a series of amide-chroman derivatives were synthesized and biologically evaluated in order to develop potent and isoform selective ROCK2 inhibitors. Remarkably, (S)-6-methoxy-chroman-3-carboxylic acid (4-pyridin-4-yl-phenyl)-amide ((S)-7c) possessed ROCK2 inhibitory activity with an IC50 value of 3 nM and 22.7-fold isoform selectivity (vs. ROCK1). Molecular docking indicated that hydrophobic interactions were the key element for the high potency and isoform selectivity of (S)-7c. The binding free energies predicted by MM/GBSA were in good agreement with the experimental bioactivities, and the analysis of individual energy terms suggested that residue Lys105 in ROCK1 or Lys121 in ROCK2 was the key residue for the isoform selectivity of (S)-7c.

Chroman-3-amides as potent Rho kinase inhibitors

Inhibition of Rho kinase (ROCK) is an attractive strategy for the treatment of diseases such as hypertension, glaucoma, and cancer. Here we report chroman-3-amides as highly potent ROCK inhibitors with sufficient kinase selectivity, excellent cell activit