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3-(Benzo[b]thiophen-3-yl)propanoic acid, a chemical compound with the molecular formula C11H10O2S, belongs to the class of organic compounds known as benzo[b]thiophenes. These aromatic heterocyclic compounds consist of a thiophene ring fused to a benzene ring. Derived from propanoic acid with the addition of a 3-(benzo[b]thiophen-3-yl) group, 3-(Benzo[b]thiophen-3-yl)propanoic acid is a carboxylic acid with potential anti-inflammatory and analgesic properties. It may be utilized in pharmaceutical research for the development of new medications to treat various diseases and conditions.

26461-80-3

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26461-80-3 Usage

Uses

Used in Pharmaceutical Research:
3-(Benzo[b]thiophen-3-yl)propanoic acid is used as a chemical intermediate for the synthesis of new medications, particularly those with potential anti-inflammatory and analgesic properties. Its unique structure and functional groups make it a promising candidate for the development of drugs to treat various diseases and conditions.
Used in Drug Development:
In the pharmaceutical industry, 3-(Benzo[b]thiophen-3-yl)propanoic acid is used as a key component in the formulation of new drugs. Its potential anti-inflammatory and analgesic properties make it a valuable asset in the creation of medications for pain relief and inflammation management.
Used in Medicinal Chemistry:
3-(Benzo[b]thiophen-3-yl)propanoic acid is employed as a building block in medicinal chemistry for the design and synthesis of novel compounds with therapeutic potential. Its unique structure allows for the exploration of new chemical space and the discovery of innovative treatments for various medical conditions.
Used in Drug Discovery:
3-(Benzo[b]thiophen-3-yl)propanoic acid is utilized in drug discovery processes to identify and optimize lead compounds with potential therapeutic effects. Its presence in various chemical libraries enables researchers to screen and evaluate its efficacy in treating specific diseases and conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 26461-80-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,6,4,6 and 1 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 26461-80:
(7*2)+(6*6)+(5*4)+(4*6)+(3*1)+(2*8)+(1*0)=113
113 % 10 = 3
So 26461-80-3 is a valid CAS Registry Number.

26461-80-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(1-benzothiophen-3-yl)propanoic acid

1.2 Other means of identification

Product number -
Other names 3-Thianaphthenepropionic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:26461-80-3 SDS

26461-80-3Relevant academic research and scientific papers

Synthesis, NMR Spectroscopy, and Molecular Modeling of 2-Methyl-2,3,4,5-tetrahydro-1H-[1]benzothieno[2,3-c]azepine

Eresko,Raksha,Berestneva, Yu. V.,Muratov,Voitash,Tolkunov,Tolkunov

, p. 1929 - 1936 (2021/01/13)

Abstract: A new synthetic approach to fused azepines was demonstrated on an example ofthe synthesis of 2-methyl-2,3,4,5-tetrahydro-1H-[1]benzothieno[2,3-c]azepine. The key stage of the synthesis is the formation of theazepine ring under the Eschweiler–Clark reaction conditions. The Gibbs energy ofactivation for the inversion of the azepine ring was determined by dynamic1H NMR spectroscopy. Molecular modeling of thestructure and estimation of the 1H and13C NMR chemical shifts were performed for2-methyl-2,3,4,5-tetrahydro-1H-[1]-benzothieno[2,3-c]azepine. The magnetic shielding tensors were calculated by thestandard GIAO method using the B3LYP/6-31G(d,p)-optimized molecular geometryparameters. The solvent effect was taken into account in the PCM approximation.The calculated 1H and 13CNMR chemical shifts of 2-methyl-2,3,4,5-tetrahydro-1H-[1]-benzothieno[2,3-c]azepine are in good agreement with the experimental valuesobserved in the spectra of its DMSO-d6 solution.

IDO inhibitors

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Page/Page column 325, (2018/09/02)

Presently provided are methods for (a) modulating an activity of indoleamine 2,3-dioxygenase comprising contacting an indoleamine 2,3-dioxygenase with a modulation effective amount of a compound as described in one of the aspects described herein; (b) treating indoleamine 2,3-dioxygenase (IDO) mediated immunosuppression in a subject in need thereof, comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; (c) treating a medical conditions that benefit from the inhibition of enzymatic activity of indoleamine-2,3-dioxygenase comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; (d) enhancing the effectiveness of an anti-cancer treatment comprising administering an anti-cancer agent and a compound as described in one of the aspects described herein; (e) treating tumor-specific immunosuppression associated with cancer comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; and (f) treating immunosuppression associated with an infectious disease, e.g., HIV-I infection, comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount a compound as described in one of the aspects described herein.

Calcitonin gene related peptide receptor antagonists

-

, (2008/06/13)

The present invention relates to compounds of Formula (I) as antagonists of calcitonin gene-related peptide receptors (“CGRP-receptor”), pharmaceutical compositions comprising them, methods for identifying them, methods of treatment using them and their use in therapy for treatment of neurogenic vasodilation, neurogenic inflammation, migraine and other headaches, thermal injury, circulatory shock, flushing associated with menopause, airway inflammatory diseases, such as asthma and chronic obstructive pulmonary disease (COPD), and other conditions the treatment of which can be effected by the antagonism of CGRP-receptors.

CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS

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Page 179, (2010/02/04)

The presnt invention relates to compounds of Formula (I), as antagonists of calcitonin gene-related peptide receptors ("CGRP-receptor"), pharmaceutical compositions comprising them, methods for identifying them, methods of treatment using them and their use in therapy for treatment of neurogenic vasodilation, neurogenic inflammation, migraine and other headaches, thermal injury, circulatory shock, flushing associated with menopause, airway inflammatory diseases, such as asthma and chronic obstructive pulmonary disease (COPD), and other conditions the treatment of which can be effected by the antagonism of CGRP-receptors.

Antidepressant 1-arylalkyl-4-(alkoxy pyridinyl)-and 4-(alkoxypyrimidinyl) piperazine derivatives

-

, (2008/06/13)

Novel compound of formula I and pharmaceutically acceptable salts thereof are useful CNS agents: STR1 wherein X is CH or N; X' is CH or a direct covalent link; Y is CH, CH2 or N; Y' is N, NH, O or S; R1 is H, Br, Cl, F, C1-4 alkyl, C1-4 alkoxy, C1-4 alkoxycarbonyl, CN, CONH2 or CH3 SO2 NH; n is 2 or 3; R2 is H or C1-4 alkyl; R3 is C1-4 alkoxy; R4 is H, Br, Cl, or F; and Z is CH or N.

Antidepressant 1-arylalkyl-4-(alkoxypyridinyl)- or 4-(alkoxypyrimidinyl)piperazine derivatives

-

, (2008/06/13)

Novel compound of formula I and pharmaceutically acceptable salts thereof are useful CNS agents: wherein X is CH or N; X'is CH or a direct covalent link; Y is CH, CH2or N; Y'is N, NH, O or S; R1is H, Br, Cl, F, C1-4alkyl,

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