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(2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-3-YL)-PHENYL-METHANONE is a heterocyclic compound that features a benzo[b]thiophene ring with a phenyl-methanone functional group attached. It belongs to the thioamides, characterized by a sulfur atom bonded to an amine group. The structure of this chemical indicates potential applications in medicinal chemistry and pharmaceutical research, particularly for developing compounds with therapeutic properties. Further research is required to explore its full biological and chemical properties.

4651-72-3

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4651-72-3 Usage

Uses

Used in Pharmaceutical Research:
(2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-3-YL)-PHENYL-METHANONE is used as a compound in pharmaceutical research for its potential therapeutic properties. Its unique structure suggests that it may contribute to the development of new medications.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, (2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-3-YL)-PHENYL-METHANONE is utilized for designing and synthesizing new molecules with possible applications in treating various diseases and conditions. Its heterocyclic nature and thioamide group may offer novel avenues for drug discovery and development.

Check Digit Verification of cas no

The CAS Registry Mumber 4651-72-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,6,5 and 1 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 4651-72:
(6*4)+(5*6)+(4*5)+(3*1)+(2*7)+(1*2)=93
93 % 10 = 3
So 4651-72-3 is a valid CAS Registry Number.
InChI:InChI=1/C15H15NOS/c16-15-13(11-8-4-5-9-12(11)18-15)14(17)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,16H2

4651-72-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-phenylmethanone

1.2 Other means of identification

Product number -
Other names 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophene

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:4651-72-3 SDS

4651-72-3Relevant academic research and scientific papers

Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors

Ma, Junlong,Chen, Heng,Yang, Jie,Yu, Zutao,Huang, Pan,Yang, Haofeng,Zheng, Bifeng,Liu, Rangru,Li, Qianbin,Hu, Gaoyun,Chen, Zhuo

, p. 1871 - 1881 (2019/03/27)

Bromodomain-containing protein 4 (BRD4), consisting of two tandem bromodomains (BD1 and BD2), is key epigenetic regulator in fibrosis and cancer, which has been reported that BD1 and BD2 have distinct roles in post-translational modification. But there ar

Novel heterocyclic compounds and organic light-emitting diode including the same

-

Paragraph 0567-0570, (2018/04/14)

The present invention relates to a heterocyclic compound represented by the following formula (A) or (B), and to an organic light-emitting diode including the same, wherein substituents Randprime;, RandPrime;, A1 to A4, L, W, Z and n are each as defined i

Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof

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Page/Page column 35-36, (2009/10/06)

The invention relates to a nitrogen heterocycle compound of formula 1: Also disclosed are a method of synthesizing the compound and use of the compound for treating various diseases and conditions.

THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS

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Page/Page column 27, (2008/06/13)

The present invention relates to compounds of formula (I), Wherein R1 to R5 are as defined in the specification which compounds are active on the GABABreceptor and can be used for the manufacture of medicaments useful for treating CNS disorders.

2-Amino-3-aroyl-4,5-alkylthiophenes: Agonist allosteric enhancers at human a1 adenosine receptors

Tranberg, C. Elisabet,Zickgraf, Andrea,Giunta, Brian N.,Luetjens, Henning,Figler, Heidi,Murphree, Lauren J.,Falke, Ruediger,Fleischer, Holger,Linden, Joel,Scammells, Peter J.,Olsson, Ray A.

, p. 382 - 389 (2007/10/03)

2-Amino-3-benzoylthiophenes are allosteric enhancers (AE) of agonist activity at the A1 adenosine receptor. The present report describes syntheses and assays of the AE activity at the human A1AR (hA1AR) of a panel of compounds consisting of nine 2-amino-3-aroylthiophenes (3a-i), eight 2-amino-3-benzoyl-4,5-dimethylthiophenes (12a-h), three 3-aroyl-2-carboxy-4,5-dimethylthiophenes (15a-c), 10 2-amino-3-benzoyl-5,6-dihydro-4H-cyclopenta[b]thiophenes (17a-j), 14 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophenes (18a-n), and 15 2-amino-3-benzoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophenes (19a-o). An in vitro assay employing the A1AR agonist [125I]ABA and membranes from CHO-K1 cells stably expressing the hA1AR measured, as an index of AE activity, the ability of a candidate AE to stabilize the agonist-A1AR-G protein ternary complex. Compounds 3a-i had little or no AE activity, and compounds 12a-h had only modest activity, evidence that AE activity depended absolutely on the presence of at least a methyl group at C-4 and C-5. Compounds 17a-c lacked AE activity, suggesting the 2-amino group is essential. Polymethylene bridges linked thiophene C-4 and C-5 of compounds 17a-j, 18a-n, and 19a-o. AE activity increased with the size of the -(CH2)n- bridge, n = 3 1AR contains an allosteric binding site able to accommodate 3-aroyl substituents that are bulky and/or hydrophobic but not necessarily planar. A second region in the allosteric binding site interacts constructively with alkyl substituents at thiophene C-4 and/or C-5.

THIOPHENES USEFUL FOR MODULATING THE ADENOSINE RECEPTOR

-

, (2008/06/13)

The present invention relates to compounds of formulas (IA), (IB), and (IC): STR1 the preparation thereof, pharmaceutical formulations thereof, and their use in medicine as allosteric adenosine receptor modulators for uses including protection against hypoxia and ischemia induced injury and treatment of adenosine-sensitive cardiac arrhythmias.

Allosteric modulation of the adenosine A1 receptor. Synthesis and biological evaluation of novel 2-amino-3-benzoylthiophenes as allosteric enhancers of agonist binding

Van Der Klein, Pieter A. M.,Kourounakis, Angeliki P.,IJzerman, Ad P.

, p. 3629 - 3635 (2007/10/03)

Novel allosteric enhancers of agonist binding to the rat adenosine A1 receptor are described. The lead compound for the new series was PD 81,723 ((2-amino-4,5-dimethyl-3-thienyl)[3-(trifluoromethyl)phenyl]methanone), a compound previously reported by Bruns and co-workers (Mol. Pharmacol. 1990, 38, 950-958). The 4,5-dimethyl group and the benzoyl moiety were targets for further modifications, leading to series of 4,5-dialkyl (12a-g), of tetrahydrobenzo (12h-u), and of tetrahydropyridine (13a-g) derivatives. A number of compounds, in particular 12b, 12e, 12j, 12n, and 12u, proved superior to PD 81,723. Their EC50 values for enhancing the binding of the adenosine A1 receptor agonist N6-cyclopentyladenosine to the receptor were lower, and/or their antagonistic activity on the adenosine A1 receptor was shown to be diminished.

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