76575-31-0

Basic information

• Product Name: AKOS MSC-0426
• Synonyms: AKOS MSC-0426;CHEMBRDG-BB 4143065;Ethyl 2-amino-5-propylthiophene-3-carboxylate;ethyl 2-amino-5-propylthiophene-3-carboxylate(SALTDATA: FREE);2-amino-5-propyl-3-thiophenecarboxylic acid ethyl ester;2-amino-5-propyl-thiophene-3-carboxylic acid ethyl ester
• CAS NO: 76575-31-0
• Molecular Formula: C₁₀H₁₅NO₂S
• Molecular Weight: 213.3
• Mol File: 76575-31-0.mol

Chemical Properties

• Boiling Point: 327.2°C at 760 mmHg
• Flash Point: 151.7°C
• Appearance: /
• Density: 1.153g/cm³
• Vapor Pressure: 0.000206mmHg at 25°C
• Refractive Index: 1.556
• Storage Temp.: 2-8°C
• CAS DataBase Reference: AKOS MSC-0426(CAS DataBase Reference)
• NIST Chemistry Reference: AKOS MSC-0426(76575-31-0)
• EPA Substance Registry System: AKOS MSC-0426(76575-31-0)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 76575-31-0(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
AKOS MSC-0426 is used as a starting material for the synthesis of other compounds, facilitating the creation of a wide range of chemical products due to its diverse composition of organic compounds.
Used in Solvent Applications:
AKOS MSC-0426 serves as a solvent in various processes, capitalizing on its ability to dissolve other substances, which is crucial for numerous industrial applications.
Used in Research:
In research settings, AKOS MSC-0426 is utilized as a reagent, contributing to experimental procedures and the advancement of scientific knowledge within different fields of study.
Used in Paint and Coating Production:
AKOS MSC-0426 is used as a component in the production of paints and coatings, enhancing their performance and quality by leveraging the compound's unique properties.
Used in Adhesive Manufacturing:
AKOS MSC-0426 is also employed in the manufacturing of adhesives, where its characteristics improve the bonding properties and overall effectiveness of the final product.
Used in Specialty Chemicals Production:
AKOS MSC-0426 finds application in the production of specialty chemicals, where its specific composition may be tailored to meet the needs of particular industries or applications.

InChI:InChI=1/C10H15NO2S/c1-3-5-7-6-8(9(11)14-7)10(12)13-4-2/h6H,3-5,11H2,1-2H3

Upstream product

• 110-62-3 pentanal 
• 105-56-6 ethyl 2-cyanoacetate 

Downstream Products

• 1050207-39-0 2-[[(benzoylamino)thioxomethyl]amino]-5-propyl-3-thiophenecarboxylic acid ethyl ester 
• 439692-81-6 6-(n-propyl)thieno[2,3-d]pyrimidin-4(3H)-one 

Relevant articles and documents

Discovery of a Small-Molecule Bromodomain-Containing Protein 4 (BRD4) Inhibitor That Induces AMP-Activated Protein Kinase-Modulated Autophagy-Associated Cell Death in Breast Cancer

Upon the basis of The Cancer Genome Atlas (TCGA) data set, we identified that several autophagy-related proteins such as AMP-activated protein kinase (AMPK) were remarkably downregulated in breast cancer. Combined with coimmunoprecipitation assay, we demonstrated that BRD4 might interact with AMPK. After analyses of the pharmacophore and WPF interaction optimization, we designed a small-molecule inhibitor of BRD4, 9f (FL-411) which was validated by cocrystal structure with BD1 of BRD4. Subsequently, 9f was discovered to induce ATG5-dependent autophagy-associated cell death (ACD) by blocking BRD4-AMPK interaction and thus activating AMPK-mTOR-ULK1-modulated autophagic pathway in breast cancer cells. Interestingly, the iTRAQ-based proteomics analyses revealed that 9f induced ACD pathways involved in HMGB1, VDAC1/2, and eEF2. Moreover, 9f displayed a therapeutic potential on both breast cancer xenograft mouse and zebrafish models. Together, these results demonstrate that a novel small-molecule inhibitor of BRD4 induces BRD4-AMPK-modulated ACD in breast cancer, which may provide a candidate drug for future cancer therapy.

Hybrids of thienopyrimidinones and thiouracils as anti-tubercular agents: SAR and docking studies

A number of hybrid molecules containing thienopyrimidinones and thiouracil moieties were designed, synthesized and tested against Mycobacterium tuberculosis H37Ra wherein it was observed that the compounds 11–14 exhibited antitubercular activity in?vitro

BRD4 inhibitors and applications thereof in tumor treating medicines

The invention relates to BRD4 targeting inhibitors and applications thereof in tumor treating medicines, and belongs to the technical field of antitumor pharmacy. A technical problem to be overcome is to provide compounds adopted as the BRD4 inhibitors. The compounds include compounds shown as follows, or pharmaceutically acceptable salts thereof. The compounds or the pharmaceutically acceptable salts thereof can be adopted as the BRD4 inhibitors and have obvious breast cancer treating effects.

THIOPHENE CONTAINING ANALOGUES OF FLUCONAZOLE AS ANTIFUNGAL AGENTS AND PROCESS THEREOF

The present invention discloses novel compounds of the Formula (1), containing thiophene moieties and pharmaceutically acceptable salts thereof, methods for preparing these compounds, the use of these compounds in prevention and treatment of fungal infections, and pharmaceutical preparations containing these novel compounds.

THIENO[2,3-D]-PYRIMIDINE-4(3H)-ONE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND PROCESS THEREOF

The present invention discloses novel compounds of the Formula (1), containing thieno- [2,3-d]pyrimidin-4(3H)-one moieties and pharmaceutically acceptable salts thereof, methods for preparing these compounds, the use of these compounds in prevention and treatment of fungal infections, and pharmaceutical preparations containing these novel compounds.

3-(1H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4(3H)-ones

3-(1H-Tetrazol-5-yl)thieno[2,3-d]pyrimidin-4(3H)-ones useful as antiallergic agents are described herein. The compounds are prepared by cyclization of an appropriate substituted amidine using an alkali metal base. The reaction is carried out in an appropriate inert solvent.

Synthesis and Antiallergy Activity of 4-Oxo-4H-pyridothienopyrimidines

A series of 4-oxo-4H-pyridothienopyrimidines with substitutions in the 2, 3, and 7 positions was prepared.The compounds were evaluated in the rat positive cutaneous anaphylaxis test for antiallergy activity.Several compounds had potent oral