4651-72-3

Basic information

• Product Name: (2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-3-YL)-PHENYL-METHANONE
• Synonyms: 2-AMino-3-benzoyl-4,5-tetraMethylenethiophene;3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-aMine;(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-phenylmethanone;(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-phenyl-methanone;(2-amino-4,5,6,7-tetrahydrobenzothiophen-3-yl)-phenylmethanone;(2-amino-4,5,6,7-tetrahydrobenzothiophen-3-yl)-phenyl-methanone
• CAS NO: 4651-72-3
• Molecular Formula: C₁₅H₁₅NOS
• Molecular Weight: 257.36
• Mol File: 4651-72-3.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 500.3°Cat760mmHg
• Flash Point: 256.4°C
• Appearance: /
• Density: 1.248g/cm³
• Vapor Pressure: 3.83E-10mmHg at 25°C
• Refractive Index: 1.652
• CAS DataBase Reference: (2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-3-YL)-PHENYL-METHANONE(CAS DataBase Reference)
• NIST Chemistry Reference: (2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-3-YL)-PHENYL-METHANONE(4651-72-3)
• EPA Substance Registry System: (2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-3-YL)-PHENYL-METHANONE(4651-72-3)

Safety Data

• Hazardous Substances Data: 4651-72-3(Hazardous Substances Data)

Usage

General Description

The chemical (2-amino-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl)-phenyl-methanone is a heterocyclic compound that contains a benzo[b]thiophene ring. It has a phenyl-methanone functional group attached to the benzo[b]thiophene ring. (2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-3-YL)-PHENYL-METHANONE is a member of the thioamides, which are characterized by the presence of a sulfur atom bonded to an amine group. The structure of this chemical suggests that it may have applications in medicinal chemistry and pharmaceutical research, particularly in the development of compounds with potential therapeutic properties. Further studies are needed to fully elucidate the biological and chemical properties of this compound.

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

Upstream product

• 108-94-1 cyclohexanone 
• 614-16-4 Benzoylacetonitrile 

Downstream Products

• 53015-36-4 7-phenyl-8,9,10,11-tetrahydro-6H-benzo[4,5]thieno[2,3-b]chromeno[3,4-e]pyridine 
• 53015-33-1 2-methyl-3,4-diphenyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-b]pyridine 
• 119934-32-6 3-Benzoyl-2-(4-chlorphenoxythiocarbonylamino)-4,5,6,7-tetrahydro-benzothiophen 
• 119934-31-5 3-Benzoyl-2-isothiocyanato-4,5,6,7-tetrahydrobenzothiophene 
• 119934-39-3 2-Amino-3-<α-(phenylaminothiocarbonylhydrazono)benzyliden>-4,5,6,7-tetrahydrobenzothiophen 
• 18774-43-1 N-(3-benzoyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-acetamide 
• 53015-34-2 2,3,4-triphenyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-b]pyridine 
• 1314464-41-9 C₂₂H₂₁NO₃S₂ 
• 67718-59-6 N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamide 
• 1314464-66-8 C₂₅H₂₅NO₃S₂ 
• 1314464-63-5 C₂₂H₂₃NO₂S 
• 1314464-61-3 4-(3-phenyl-1-tosyl-4,5,6,7-tetrahydro-1H-[1]benzo-thieno[2,3-b]pyrrol-2-yl)butan-2-one 
• 1314464-35-1 C₂₅H₂₃NO₂S₂ 
• 1314464-33-9 C₂₇H₂₅NO₂S 

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

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.