81766-02-1

Basic information

• Product Name: 2-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
• CAS NO: 81766-02-1
• Molecular Formula: C₁₀H₁₁N₃OS
• Molecular Weight: 221.2788
• Mol File: 81766-02-1.mol
• Article Data: 5

Chemical Properties

• Density: 1.75g/cm³
• Refractive Index: 1.878
• CAS DataBase Reference: 2-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one(81766-02-1)
• EPA Substance Registry System: 2-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one(81766-02-1)

Safety Data

• Hazardous Substances Data: 81766-02-1(Hazardous Substances Data)

Usage

Chemical Structure

Contains a benzothiophene ring fused to a pyrimidine ring.

Molecular Weight

210.27 g/mol

Biological Activity

Potential: 2-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one exhibits potential biological activities.
Therapeutic Applications: It is being investigated for its therapeutic applications.

Use in Pharmaceutical Research

Common: It is commonly used in pharmaceutical research and drug development.

Heterocyclic Nature

Composition: Contains a heterocyclic structure.
Nitrogen Atom: Contains a nitrogen atom within the heterocyclic ring.

Functional Groups

Amino Group: Contains an amino group (NH2).

Pharmacological Properties

The presence of the amino group and nitrogen atom may contribute to its pharmacological properties.

Ongoing Research

Studies: Its precise uses and functions are still being studied and explored in various scientific and medical contexts.

Upstream product

• 4506-71-2 ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 
• 420-04-2 CYANAMID 
• 29671-92-9 chloroformamidine hydrochloride 
• 108-94-1 cyclohexanone 
• 40277-35-8 2,4-dichloro-5,6,7,8-tetrahydrobenzothieno<2,3-d>pyrimidine 
• 81766-03-2 2-chloro-3,4,5,6,7,8-hexahydro<1>benzothieno<2,3-d>pyrimidin-4-one 

Relevant articles and documents

Synthesis, adenosine receptor binding and molecular modelling studies of novel thieno[2,3-d]pyrimidine derivatives

A series of new molecules containing a thieno[2,3-d]pyrimidine scaffold was synthesized and characterized by adopting an efficient synthetic scheme. The effect of a free or substituted amino group at 2-position as well as an oxo-group, imidazole or 1,2,4-triazole ring at 4-position of the scaffold on the affinity and selectivity towards adenosine receptors (ARs) was evaluated. Compounds 17–19 with a free amino group at 2-position along with the presence of an imidazole/1,2,4-triazole ring at 4-position of the scaffold showed selective binding affinities for hA2A AR, whereas carbamoylation of the amino group at 2-position (in the presence of an oxo-group at 4-position of the scaffold) increased the affinity and selectivity of certain compounds (7–10) for hA3 AR. Molecular dynamic simulation study of one of the most active compound 8 (Ki hA1?>?30?μm, hA2A?=?0.65?μm, and hA3?=?0.124?μm) revealed the role of important amino acid residues for imparting good affinity towards hA3 and hA2A ARs. Molecular docking studies were carried out for other compounds using the crystal structure of hA2A AR and a homology model of hA3 AR to rationalize their structure–activity relationships. The molecular docking results were in agreement with the experimental binding affinity data of ARs.

Reaction of Nitriles Under Acidic Conditions. Part III. A Facile Synthesis of Thienopyrimidin-4(3H)-ones

A variety of thiophene o-aminoesters were reacted with cyanates, thiocyanates, cyanamides, acyl cyanides and α-functionalized acetonitrile derivatives to yield the corresponding 2-substituted thienopyrimidin-4(3H)-ones.

3,4-Dihydrothienopyrimidines. II. Synthesis and Sodium Borohydride Reduction of 2-Substituted 4-Chloro- and 4-Unsubstituted-thienopyrimidines

The synthesis and sodium borohydride reduction of 4-chloro- (1) and 4-unsubstituted- (3) 5,6,7,8-tetrahydrobenzothienopyrimidines, substituted with various groups, such as chloro, hydrogen, methyl, phenyl, amino, ethoxy, methylthio, methylsulfin