379229-83-1

Basic information

• Product Name: 5-CHLORO-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
• Synonyms: 5-CHLORO-BENZO[1,3]DIOXOLE-4-CARBOXYLIC ACID;5-CHLORO-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID;5-chlorobenzo[d][1,3]dioxole-4-carboxylic acid;1,3-Benzodioxole-4-carboxylic acid, 5-chloro-;5-chlorobenzo[d][1,3]dioxole
• CAS NO: 379229-83-1
• Molecular Formula: C₈H₅ClO₄
• Molecular Weight: 200.58
• Mol File: 379229-83-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 342.3 °C at 760 mmHg
• Flash Point: 160.8 °C
• Appearance: /
• Density: 1.603
• Vapor Pressure: 2.92E-05mmHg at 25°C
• Refractive Index: 1.625
• CAS DataBase Reference: 5-CHLORO-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-CHLORO-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID(379229-83-1)
• EPA Substance Registry System: 5-CHLORO-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID(379229-83-1)

Safety Data

• Hazardous Substances Data: 379229-83-1(Hazardous Substances Data)

Usage

General Description

5-Chloro-1,3-benzodioxole-4-carboxylic acid is a chemical compound with a molecular formula C9H5ClO4. It is a white to off-white powder that is soluble in organic solvents like methanol and DMSO. 5-Chloro-1,3-benzodioxole-4-carboxylic acid is used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It is also used in the development of chemical processes and as a reagent in organic synthesis. Its properties make it valuable in a variety of chemical and industrial applications. Additionally, it may have potential applications in the field of medicinal chemistry and drug discovery due to its structural features.

InChI:InChI=1/C8H5ClO4/c9-4-1-2-5-7(13-3-12-5)6(4)8(10)11/h1-2H,3H2,(H,10,11)

Upstream product

• 7228-38-8 5-chloro-1,3-benzodioxole 
• 124-38-9 carbon dioxide 

Downstream Products

• 379229-84-2 tert-butyl (5-chloro-1,3-benzodioxol-4-yl)carbamate 
• 379228-45-2 5-chlorobenzo[d][1,3]dioxolcyclopenten-4-amine 

Relevant articles and documents

Discovery of a New Class of Anilinoquinazoline Inhibitors with High Affinity and Specificity for the Tyrosine Kinase Domain of c-Src

Deregulated activity of the nonreceptor tyrosine kinase c-Src is believed to result in signal transduction, cytoskeletal and adhesion changes, ultimately promoting a tumor-invasive phenotype. We report here the discovery of a new class of anilinoquinazoline inhibitors with high affinity and specificity for the tyrosine kinase domain of the c-Src enzyme. Special attention was directed toward finding inhibitors selective against KDR tyrosine kinase in order to ensure that the in vivo profile of a specific Src inhibitor could be determined. The 4-aminobenzodioxole quinazoline series gave compounds with excellent potency and selectivity. The most interesting compounds were evaluated in vivo and displayed good pharmacokinetics following oral dosing. Compounds such as the aminobenzodioxoles were shown to be potent inhibitors of tumor growth in a c-Src-transformed 3T3 xenograft model in vivo, resulting in more than 90% growth inhibition at doses as low as 6 mg/kg po once daily. Src tyrosine kinase inhibitors such as these may provide a novel therapeutic modality for targeting cancer invasion and metastasis.

SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS

The invention concerns quinoline derivatives of Formula (I) wherein each of Z1, m, R1, n, R3, Z2 and R14 have any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use as an anti-invasive or anti-proliferative agent in the containment and/or treatment of solid tumour disease.