40106-13-6

Basic information

• Product Name: ETHYL 2-AMINO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE
• Synonyms: Ethyl 2-aminocyclohepta[b]thiophene-3-carboxylate,99%;2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene-3-carboxylic acid ethyl ester;ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene-3-carboxylate;TIMTEC-BB SBB000785;IFLAB-BB F1386-0050;ETHYL 2-AMINO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE;ETHYL 2-AMINOCYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE;2-AMINO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
• CAS NO: 40106-13-6
• Molecular Formula: C₁₂H₁₇NO₂S
• Molecular Weight: 239.33
• Mol File: 40106-13-6.mol
• Article Data: 54

Chemical Properties

• Melting Point: 89-90 °C
• Boiling Point: 419.4 °C at 760 mmHg
• Flash Point: 207.5 °C
• Appearance: yellow-beige crystalline powder
• Density: 1.1617 (rough estimate)
• Vapor Pressure: 3.04E-07mmHg at 25°C
• Refractive Index: 1.6280 (estimate)
• Solubility: Soluble in methanol and ethanol.
• CAS DataBase Reference: ETHYL 2-AMINO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-AMINO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE(40106-13-6)
• EPA Substance Registry System: ETHYL 2-AMINO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE(40106-13-6)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/22
• Safety Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 40106-13-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H17NO2S/c1-2-15-12(14)10-8-6-4-3-5-7-9(8)16-11(10)13/h2-7,13H2,1H3

Upstream product

• 53841-07-9 ethyl cyanoacetate 
• 502-42-1 cycloheptanone 
• 105-56-6 ethyl 2-cyanoacetate 

Downstream Products

• 1214738-49-4 ethyl 2-[3-(phenylsulfonyl)ureido]-5,6,7,8-tetrahydro-4H-cyclohepta-[b]thiophene-3-carboxylate 
• 87752-95-2 2-(3-Chloro-phenyl)-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulen-4-ol 
• 109164-41-2 2-(3-Carboxy-propionylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester 
• 59163-15-4 2-anilino-3-nitro-1,5,6,7,8,9-hexahydro-cyclohepta[4,5]thieno[2,3-b]pyridin-4-one 
• 40106-31-8 6,7,8,96,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(3H)-one-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(3H)-one 
• 847786-13-4 N-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine 
• 107113-11-1 2-phenyl-6,7,8,9-tetrahydro-4H,5H-cyclohepta[4,5]thieno[2,3-d][1,3]oxazin-4-one 

Relevant articles and documents

Regioselective synthesis of C-nucleosides via condensation of 2-hydrazino-thia-diaza-benzo[a]-azulen-4-one

-

Synthesis and biological activity of new cycloalkylthiophene-Schiff bases and their Cr(III) and Zn(II) complexes

A series of some novel Ethyl 2-((1-hydroxynaphthalen-2-yl)methyleneamino)- 5,6-dihydro-4H-cyclopenta[b]thiopehene-3-carboxylate, Ethyl 2-((1- hydroxynaphthalen- 2-yl)methyleneamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3- carboxylate, Ethyl 2-((1-hydroxynaphtalen-2-yl)methyleneamino)-5,6,7,8- tetrahydro-4H-cyclohepta [b]thiophene-3-carboxylate and their Cr(III) and Zn(II) complexes have been synthesized. All of these substances have been examined for antibacterial activity against pathogenic strains Listeria monocytogenes 4b (ATCC-19115), Staphylococcus aureus (ATCC25923), Proteus OX2 Wrah (ETS.40-A-4), Escherichia coli (ATCC-1280), Salmonella typhi H (NCTC-901.8394), Pseudomonas putida sp., Brucella abortus (A.99, UK-1995) RSKK-03026. Sh. boydii type 11 (Pasteur51.6), Sh. boydii type 16 (cHe 67.11), Sh. boydii type 6 (RSKK-96043), and antifungal activity against Candida albicans (Y-1200-NIH, Tokyo). Some of the compounds exhibited activity comparable to ampicillin ofloxacin, nystatin, kanamycin, sulphamethoxazol, amoxycillin, and chloroamphenicol. Most of the studied compounds were found effective against bacteria studied and yeast. Birkha?user Boston 2009.

PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF

The present disclosure provides compounds of Formula (I): and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled compounds, and prodrugs thereof. The provided compounds may be tumor necrosis factor ("TNF") receptor associated protein 1 ("TRAP1") modulators (e.g., TRAP1 activators). The provided compounds may also rescue the activity in PTEN-induced kinase 1 ("PINK1") loss of function contexts. The provided compounds may also improve mitochondrial health, function, quality, quantity, and/or activity, and/or reduce the production of reactive oxygen species. The provided compounds may also refold or solubilize aggregated or misfolded proteins such as a-synuclein. The present disclosure also provides pharmaceutical compositions comprising the provided compounds; kits comprising the provided compounds or pharmaceutical compositions; and methods of using the provided compounds and pharmaceutical compositions (e.g., for treating a disease in a subject in need thereof).

Straightforward synthesis, characterization, and cytotoxicity evaluation of hybrids of natural alkaloid evodiamine/rutaecarpine and thieno[2,3-d]pyrimidinones

Dozens of hybrids of natural alkaloid evodiamine/rutaecarpine and thieno[2,3-d]pyrimidinones were synthesized in a straightforward method by condensation of substituted 2H-thieno[2,3-d][1, 3]oxazine-2,4(1H)-diones or N-methyl-2H-thieno[2,3-d][1, 3]oxazine-2,4(1H)-dione with 3,4-dihydro-β-carbolines. In vitro cytotoxic assay discovered that compounds 9a, 10e, 11a, 11d, 11f, and 12a could induce antiproliferation against four different types of human cancer cells while compounds 10f and 12e were inactive. Notably, compound 11a displayed potent cell cytotoxicity for human non-small cell lung cancer cells A549, PC-9, human prostate cancer cells PC-3, and human breast cancer cell line MCF-7. Furthermore, compound 11a exhibited strong colony formation inhibition to A549 cells. These results unfold potential anticancer therapeutic applications of hybrids of thieno[2,3-d]pyrimidinones and quinazolinones.