4160-61-6

Basic information

• Product Name: METHYL TETRAHYDRO-4-OXO-2H-THIOPYRAN-3-CARBOXYLATE
• Synonyms: METHYL TETRAHYDRO-4-OXO-2H-THIOPYRAN-3-CARBOXYLATE;4-OXO-TETRAHYDRO-THIOPYRAN-3-CARBOXYLIC ACID METHYL ESTER;Methyl tetrahydro-4-oxo-2H-thiopyran-3-carboxylate ,96%;Methyl 4-oxotetrahydrothiopyran-3-carboxylate;3-(Carbomethoxy)tetrahydrothiopyran-4-one;3-Carbomethoxytetrahydro-1,4-thiapyrone;3-Methoxycarbonyl-4-thianone;methyl 4-oxo-tetrahydro-2H-thiopyran-3-carboxylate
• CAS NO: 4160-61-6
• Molecular Formula: C₇H₁₀O₃S
• Molecular Weight: 174.2175
• EINECS: 145-852-9
• Mol File: 4160-61-6.mol
• Article Data: 32

Chemical Properties

• Boiling Point: 285℃
• Flash Point: 137℃
• Appearance: Clear colorless to pale yellow/Liquid or Solid
• Density: 1.244
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: METHYL TETRAHYDRO-4-OXO-2H-THIOPYRAN-3-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL TETRAHYDRO-4-OXO-2H-THIOPYRAN-3-CARBOXYLATE(4160-61-6)
• EPA Substance Registry System: METHYL TETRAHYDRO-4-OXO-2H-THIOPYRAN-3-CARBOXYLATE(4160-61-6)

Safety Data

• Statements: 36/37/38
• Safety Statements: 23-26-36/37/39
• Hazardous Substances Data: 4160-61-6(Hazardous Substances Data)

Upstream product

• 4131-74-2 Dimethyl 3,3'-thiodipropionate 
• 2935-90-2 Methyl 3-mercaptopropionate 
• 292638-85-8 acrylic acid methyl ester 

Downstream Products

• 1072-72-6 Tetrahydrothiopyran-4-one 
• 61306-81-8 3-methoxycarbonylthiin-4-one 
• 91791-23-0 3-benzyl-3-(methoxycarbony)-4-thianone 
• 62723-59-5 3-methoxycarbonyl-5,6-dihydrothiin-4-one 
• 90909-25-4 3-methoxycarbonyl-2,3-dihydrothiin-4-one 
• 25012-75-3 3-methoxycarbonylthian-4-one S-oxide 
• 95066-05-0 3-methoxycarbonyl-5-chloro-5,6-dihydrothiin-4-one 
• 90909-31-2 2-methoxycarbonyl-2-chloromethylthiolan-3-one 
• 90909-32-3 3-methoxycarbonyl-3-chlorothian-4-one 
• 167011-35-0 (R)-1,1-Dioxotetrahydro-2H-thiopyran-3-carboxylic acid 
• 167011-35-0 (S)-1,1-Dioxotetrahydro-2H-thiopyran-3-carboxylic acid 
• 172214-46-9 1-<5,6-Dihydro-2H-thiopyran-3-yl>-4(S)-(phenylmethyl)-2-oxazolidinone 
• 172214-38-9 1-<5,6-Dihydro-2H-thiopyran-3-yl>-4(R)-(phenylmethyl)-2-oxazolidinone 
• 172337-05-2 1-<(R)-Tetrahydro-2H-thiopyran-3-yl>-4(S)-(phenylmethyl)-2-oxazolidinone 

Relevant articles and documents

New Reaction Mode of the Dieckmann-Type Cyclization under the Lewis Acid-Et3N Conditions

Dieckmann-type cyclization reactions of various dicarboxylic acid derivatives were readily promoted by employing Lewis acids such as AlCl3, MgBr2, MgCl2, and Sn(OSO2CF3)2 in the presence of Et3N or N-ethylpiperidine.The cyclization reactions of half thiol

Discovery of Novel Dihydrothiopyrano[4,3-d]pyrimidine Derivatives as Potent HIV-1 NNRTIs with Significantly Reduced hERG Inhibitory Activity and Improved Resistance Profiles

Enlightened by the available structural biology information, a novel series of dihydrothiopyrano[4,3-d]pyrimidine derivatives were rationally designedviascaffold hopping and molecular hybridization strategies. Notably, compound 20a yielded exceptionally potent antiviral activities (EC50= 4.44-54.5 nM) against various HIV-1 strains and improved resistance profiles (RF = 0.5-5.6) compared to etravirine and rilpivirine. Meanwhile, 20a exhibited reduced cytotoxicity (CC50= 284 μM) and higher SI values (SI = 5210-63992). Molecular dynamics simulations were performed to rationalize the distinct resistance profiles. Besides, 20a displayed better solubility (sol. = 12.8 μg/mL) and no significant inhibition of the main CYP enzymes. Furthermore, 20a was characterized for prominent metabolic stability andin vivosafety properties. Most importantly, the hERG inhibition profile of 20a (IC50= 19.84 μM) was a remarkable improvement. Overall, 20a possesses huge potential to serve as a promising drug candidate due to its excellent potency, low toxicity, and favorable drug-like properties.

Preparation and application of 2-aminopyrimidine heterocyclic compounds containing 4-acylamino phenoxy

The invention relates to preparation and application of 2-aminopyrimidine heterocyclic compounds containing 4-acylamino phenoxy as shown in general formulas I and II, and pharmaceutically acceptable salts, hydrates, solvates and prodrugs of the compounds. Substituents X, R1 and R2 have meanings given in the specification. The compounds shown in the general formulas I and II have a strong effect ofinhibiting EGFR, EGFRT790M/L858R and EGFRT790M kinase; the compounds have very low inhibitory activity on human normal hepatocyte LO2. The invention also relates to application of the compounds and pharmaceutically acceptable salts, hydrates, solvates or prodrugs thereof in preparation of drugs for treating diseases caused by abnormal activation and high expression of EGFR kinase and positive mutation of T790M and L858R, particularly application in preparing medicines for treating and/or preventing cancers.