50340-79-9

Basic information

• Product Name: 5-(METHOXYCARBONYL)THIOPHENE-2-CARBOXYLIC ACID
• Synonyms: 5-(METHOXYCARBONYL)THIOPHENE-2-CARBOXYLIC ACID
• CAS NO: 50340-79-9
• Molecular Formula: C₇H₆O₄S
• Molecular Weight: 186.18
• Mol File: 50340-79-9.mol

Chemical Properties

• Melting Point: 187-190℃
• Boiling Point: 365.2°C at 760 mmHg
• Flash Point: 174.7°C
• Appearance: /
• Density: 1.439g/cm³
• Vapor Pressure: 5.62E-06mmHg at 25°C
• Refractive Index: 1.584
• Storage Temp.: 2-8°C(protect from light)
• PKA: 3.04±0.10(Predicted)
• CAS DataBase Reference: 5-(METHOXYCARBONYL)THIOPHENE-2-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(METHOXYCARBONYL)THIOPHENE-2-CARBOXYLIC ACID(50340-79-9)
• EPA Substance Registry System: 5-(METHOXYCARBONYL)THIOPHENE-2-CARBOXYLIC ACID(50340-79-9)

Safety Data

• Statements: 20/21/22
• Safety Statements: 3/9-24/25-36/37
• HazardClass: IRRITANT
• Hazardous Substances Data: 50340-79-9(Hazardous Substances Data)

Usage

Chemical Properties

White solid

InChI:InChI=1/C7H6O4S/c1-11-7(10)5-3-2-4(12-5)6(8)9/h2-3H,1H3,(H,8,9)

Upstream product

• 116530-64-4 5-prop-1-ynyl-thiophene-2-carboxylic acid methyl ester 
• 4282-34-2 Dimethyl thiophene-2,5-dicarboxylate 
• 67808-64-4 5-formyl-thiophene-2-carboxylic acid methyl ester 
• 4565-31-5 5-formyl-2-thiophencarboxylic acid 
• 501-91-7 junipal 
• 3737-38-0 5-propynyl-thiophene-2-carboxylic acid 
• 4282-31-9 Thiophene-2,5-dicarboxylic acid 
• 74-88-4 methyl iodide 
• 5380-42-7 thiophene-2-carboxylic acid methyl ester 
• 124-38-9 carbon dioxide 
• 98-03-3 thiophene-2-carbaldehyde 
• 58268-08-9 2-(2-thienyl)-1,3-dioxolane 

Downstream Products

• 133380-41-3 methyl 5-(chlorocarbonyl)thiophene-2-carboxylate 
• 2325-98-6 methyl 5-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophenecarboxylate 
• 4192-32-9 2-bromo-1-(5-methoxycarbonylthiophen-2-yl)-ethanone 
• 125061-05-4 5-(5-phenyl-2-oxazolyl)thiophene-2-carboxylic acid 
• 133380-53-7 5-(2-phenyloxazol-5-yl)-2-thiophenecarboxylic acid 
• 133380-69-5 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-thiophenecarboxylic acid 
• 133380-73-1 5-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thiophenecarboxylic acid 
• 133380-67-3 methyl 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-thiophenecarboxylate 
• 133380-45-7 methyl 5-(5-phenoxazol-2-yl)-2-thiophenecarboxylate 
• 133380-51-5 methyl 5-(2-phenyloxazol-5-yl)-2-thiophenecarboxylate 
• 133380-43-5 N-(5-methoxycarbonyl-2-thenoyl)-α-aminoacetophenone 
• 133380-49-1 methyl 5--2-thiophenecarboxylate 
• 133380-75-3 O-(2-methoxycarbonyl-5-thenoyl)benzamide oxime 
• 2495-15-0 N-(5-methoxycarbonyl-2-thenoyl)-N'-benzoylhydrazide 

Relevant articles and documents

The role of N-terminal heterocycles in hydrogen bonding to α-chymotrypsin

A series of dipeptide aldehydes containing different N-terminal heterocycles was prepared and assayed in vitro against α-chymotrypsin to ascertain the importance of the heterocycle in maintaining a β-strand geometry while also providing a hydrogen bond do

MONOCYCLIC, THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF THE SAME

The present invention provides monocyclic, thieno, pyrido and pyrrolo pyrimidine compounds. Pharmaceutical compositions comprising one or more of these compounds and optionally comprising a pharmaceutically acceptable salt or hydrate of one or more of the compounds are provided. Preferably, these pharmaceutical compositions further comprise at least one pharmaceutically acceptable carrier. Methods of treating a patient having cancer are provided wherein a therapeutically effective amount of one or more of these compounds or pharmaceutical compositions are administered to the patient.

Toward the Rational Design of Galactosylated Glycoclusters That Target Pseudomonas aeruginosa Lectin A (LecA): Influence of Linker Arms That Lead to Low-Nanomolar Multivalent Ligands

Anti-infectious strategies against pathogen infections can be achieved through antiadhesive strategies by using multivalent ligands of bacterial virulence factors. LecA and LecB are lectins of Pseudomonas aeruginosa implicated in biofilm formation. A series of 27 LecA-targeting glycoclusters have been synthesized. Nine aromatic galactose aglycons were investigated with three different linker arms that connect the central mannopyranoside core. A low-nanomolar (Kd=19 nm, microarray) ligand with a tyrosine-based linker arm could be identified in a structure–activity relationship study. Molecular modeling of the glycoclusters bound to the lectin tetramer was also used to rationalize the binding properties observed.

Selective nitrile inhibitors to modulate the proteolytic synergism of cathepsins S and F

A series of dipeptide nitriles with different P3 substituents was designed to explore the S3 binding pocket of cathepsin S. Racemic 7-16 and the enantiopure derivative (R)-22 proved to be potent inhibitors of human cathepsin S and exhibited notable selectivity over human cathepsins L, K, and B. Inhibition of cathepsin F, the functional synergist of cathepsin S, was not observed. The azadipeptide analogue of 22, compound 26, was highly potent but nonselective.

Design of chimeric histone deacetylase- and tyrosine kinase-inhibitors: A series of Imatinib hybrides as potent Inhibitors of wild-type and mutant BCR-ABL, PDGF-Rβ, and histone deacetylases

Inhibitors of histone deacetylases are a new class of cancer therapeutics with possibly broad applicability. Combinations of HDAC inhibitors with the kinase inhibitor 1 (Imatinib) in recent studies showed additive and synergistic effects. Here we present a new concept by combining inhibition of protein kinases and HDACs, two independent pharmacological activities, in one synthetic small molecule. In general, the HDAC inhibition profile, the potencies, and the probable binding modes to HDAC1 and HDAC6 were similar as for 6 (SAHA). Inhibition of Abl kinase in biochemical assays was maintained for most compounds, but in general the kinase selectivity profile differed from that of 1 with nearly equipotent inhibition of the wildtype and the Imatinib resistant Abl T315I mutant. A potent cellular inhibition of PDGFR and cytotoxicity toward EOL-1 cells, a model for idiopathic hypereosinophilic syndrome (HES), are restored or enhanced for selected analogues (12b, 14b, and 18b). Cytotoxicity was evaluated by using a broad panel of tumor cell lines, with selected analogues displaying mean IC50 values between 3.6 and 7.1 μM.

Benzimidazole compounds and their use as estrogen agonists/antagonists

This invention relates to compounds, in particular benzimidazoles, that are useful as estrogen agonists and/or antagonists and pharmaceutical uses thereof. The present invention also relates to benzimidazoles that are selective for the ERβ receptor and pharmaceutical uses thereof.

3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS

A compound represented by the formula (1): wherein A is a nitrogen atom or CR4, B is an oxygen atom, a sulfur atom or NR9 (provided that when A is a nitrogen atom, B is not NH), R1 is a C2-14; aryl group, L1 is a bond, CR10R11, an oxygen atom, a sulfur atom or NR12, X is OR13, SR13 or NR14NR15, R2 is a hydrogen atom, a formyl group, a C1-10; alkyl group or the like, L2 is a bond or the like, L3 is a bond, CR17R18, an oxygen atom, a sulfur atom or NR19, L4 is a bond, CR20R21, an oxygen atom, a sulfur atom or NR22, Y is an oxygen atom, a sulfur atom or NR23, and R3 is a C2-14; aryl group, a tautomer, prodrug or pharmaceutically acceptable salt of the compound or a solvate thereof.

PYRAZOLONE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATOR

A preventive, therapeutic or improving agent for diseases against which activation of the thrombopoietin receptor is effective or a platelet increasing agent, which contains a thrombopoietin receptor activator represented by the formula (1): wherein A is

BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS

This invention relates to compounds, in particular benzimidazoles, that are useful as estrogen agonists and/or antagonists and pharmaceutical uses thereof. The present invention also relates to benzimidazoles that are selective for the ER? receptor and pharmaceutical uses thereof.