49679-45-0

Basic information

• Product Name: ETHYL 3-CHLOROQUINOXALINE-2-CARBOXYLATE
• Synonyms: ETHYL 3-CHLOROQUINOXALINE-2-CARBOXYLATE;3-Chloroquinoxaline-2-carboxylic acid ethyl ester
• CAS NO: 49679-45-0
• Molecular Formula: C₁₁H₉ClN₂O₂
• Molecular Weight: 236.66
• Mol File: 49679-45-0.mol
• Article Data: 13

Chemical Properties

• Melting Point: 41-42℃
• Boiling Point: 330.7 °C at 760 mmHg
• Flash Point: 153.8 °C
• Appearance: /
• Density: 1.341
• Vapor Pressure: 0.000163mmHg at 25°C
• Refractive Index: 1.615
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -5.14±0.48(Predicted)
• CAS DataBase Reference: ETHYL 3-CHLOROQUINOXALINE-2-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 3-CHLOROQUINOXALINE-2-CARBOXYLATE(49679-45-0)
• EPA Substance Registry System: ETHYL 3-CHLOROQUINOXALINE-2-CARBOXYLATE(49679-45-0)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 49679-45-0(Hazardous Substances Data)

Usage

General Description

Ethyl 3-chloroquinoxaline-2-carboxylate is a chemical compound with the molecular formula C11H9ClN2O3. It is a derivative of quinoxaline, which is commonly used in the synthesis of pharmaceuticals and agrochemicals. ETHYL 3-CHLOROQUINOXALINE-2-CARBOXYLATE is an ester, containing an ethyl group and a carboxylate functional group attached to the quinoxaline ring. The presence of a chloro group in the 3-position of the quinoxaline ring adds to the reactivity and potential biological activity of this compound. Due to its structure and properties, ethyl 3-chloroquinoxaline-2-carboxylate is of interest for further research and potential applications in the fields of medicinal chemistry, pharmacology, and agrochemical development.

InChI:InChI=1/C11H9ClN2O2/c1-2-16-11(15)9-10(12)14-8-6-4-3-5-7(8)13-9/h3-6H,2H2,1H3

Upstream product

• 36818-07-2 ethyl 3-oxo-4H-quinoxaline-2-carboxylate 
• 95-54-5 1,2-diamino-benzene 
• 685-87-0 Diethyl 2-bromomalonate 
• 36818-08-3 ethyl 1,2,3,4-tetrahydro-3-oxoquinoxaline-2-carboxylate 
• 609-09-6 Diethyl ketomalonate 
• 7065-23-8 ethyl quinoxaline-2-carboxylate 
• 105-53-3 diethyl malonate 
• 36818-07-2 ethyl-3-hydroxy-quinoxaline-2-carboxylate 
• 23395-75-7 ethyl 2-quinoxalinecarboxylate 4-oxide 

Downstream Products

• 154371-12-7 4-oxo-2-(p-tolylamino)<1,3>thiazino<5,6-b>quinoxaline 
• 154371-18-3 2-(3-Chloro-phenylamino)-1-thia-3,9,10-triaza-anthracen-4-one 
• 154371-19-4 2-(4-Bromo-phenylamino)-1-thia-3,9,10-triaza-anthracen-4-one 
• 154371-23-0 2-(2,4-Dimethyl-phenylamino)-1-thia-3,9,10-triaza-anthracen-4-one 
• 854606-51-2 C₁₉H₁₉N₃O₂ 
• 1276684-93-5 C₂₂H₂₄N₄O₃ 
• 1276684-95-7 C₂₁H₂₁ClN₄O₂ 
• 1223954-52-6 (4-(3-chlorophenyl)piperazin-1-yl)(3-ethoxyquinoxalin-2-yl)methanone 
• 1276684-97-9 C₂₂H₂₁F₃N₄O₂ 
• 1276684-98-0 C₂₂H₂₄N₄O₂ 
• 1276685-08-5 C₂₁H₂₄N₄O₂ 
• 1276684-91-3 C₂₁H₂₂N₄O₂ 
• 1276684-92-4 C₂₂H₂₄N₄O₃ 

Relevant articles and documents

Design and synthesis of a novel mitochondria-targeted osteosarcoma theranostic agent based on a PIM1 kinase inhibitor

Osteosarcoma (OS) is the most common malignancy of the skeletal system, with a poor prognosis and high rate of recurrence. Adequate surgical margin and adjuvant chemotherapy improve the overall survival and limb salvage rate of osteosarcoma patients. Previous studies have showed that OS exhibits an increase in the expression of proviral integration site for Moloney murine leukemia virus 1 (PIM1) kinase, and high levels of PIM1 are also associated with poor OS prognosis and metastasis. We exploited the overexpression of proto-oncogenic PIM1 in OS towards the development of a novel near-infrared imaging and targeted therapeutic agent, namely QCAi-Cy7d by conjugating a PIM1 small molecule inhibitor and heptamethine cyanine dye, for simultaneous guiding surgery and chemotherapy. QCAi-Cy7d showed targeted imaging and anticancer activities against OS in vitro and vivo without any obvious toxicity, and its antitumoral activity was much greater than the parent PIMI inhibitor. These results demonstrated the potential of new conjugate of PIM1 inhibitor and near-infrared imaging, supporting structure-based design and development of theranostic agents for precise tumor imaging and targeted treatment.

3-aryl amine quinoxalin-2-formamide derivative as well as preparation method and application thereof

The invention relates to a 3-aryl amine quinoxalin-2-formamide derivative as well as a preparation method and application thereof. The 3-aryl amine quinoxalin-2-formamide derivative is synthesized byusing a simple and convenient method, the yield is high,

Structure-based design of novel quinoxaline-2-carboxylic acids and analogues as Pim-1 inhibitors

We identified a new series of quinoxaline-2-carboxylic acid derivatives, targeting the human proviral integration site for Moloney murine leukemia virus-1 (HsPim-1) kinase. Seventeen analogues were synthesized providing useful insight into structure-activity relationships studied. Docking studies realized in the ATP pocket of HsPim-1 are consistent with an unclassical binding mode of these inhibitors. The lead compound 1 was able to block HsPim-1 enzymatic activity at nanomolar concentrations (IC50 of 74 nM), with a good selectivity profile against a panel of mammalian protein kinases. In vitro studies on the human chronic myeloid leukemia cell line KU812 showed an antitumor activity at micromolar concentrations. As a result, compound 1 represents a promising lead for the design of novel anticancer targeted therapies.