56844-40-7

Basic information

• Product Name: 6-BROMO-1H-THIENO[2,3-D]PYRIMIDIN-4-ONE
• Synonyms: 6-BROMO-1H-THIENO[2,3-D]PYRIMIDIN-4-ONE;6-BroMothieno[2,3-d]pyriMidin-4(3H)-one;6-bromothieno[3,2-d]pyrimidin-4(1H)-one;6-Bromo-3H-thieno[2,3-d]pyrimidin-4-one;6-Bromothieno[2,3-d]pyrimidin-4(1H)-one
• CAS NO: 56844-40-7
• Molecular Formula: C₆H₃BrN₂OS
• Molecular Weight: 231.07
• Mol File: 56844-40-7.mol
• Article Data: 18

Chemical Properties

• Boiling Point: 445.7°C at 760 mmHg
• Flash Point: 223.4°C
• Appearance: /
• Density: 2.18g/cm³
• Vapor Pressure: 3.87E-08mmHg at 25°C
• Refractive Index: 1.854
• Storage Temp.: 2-8°C(protect from light)
• PKA: 10.49±0.20(Predicted)
• CAS DataBase Reference: 6-BROMO-1H-THIENO[2,3-D]PYRIMIDIN-4-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-BROMO-1H-THIENO[2,3-D]PYRIMIDIN-4-ONE(56844-40-7)
• EPA Substance Registry System: 6-BROMO-1H-THIENO[2,3-D]PYRIMIDIN-4-ONE(56844-40-7)

Safety Data

• Hazardous Substances Data: 56844-40-7(Hazardous Substances Data)

Usage

General Description

6-BROMO-1H-THIENO[2,3-D]PYRIMIDIN-4-ONE is a chemical compound with the molecular formula C5H3BrN2O, and a molecular weight of 192.99 g/mol. It is a heterocyclic compound containing a thieno[2,3-d]pyrimidin-4-one skeleton with a bromine substituent at the 6-position. 6-BROMO-1H-THIENO[2,3-D]PYRIMIDIN-4-ONE is used in pharmaceutical and agricultural applications, particularly as a building block in the synthesis of various biologically active compounds. Its unique structure and reactivity make it a valuable intermediate in organic synthesis, and its potential biological activities make it an important target for drug discovery and development.

InChI:InChI=1/C6H3BrN2OS/c7-4-1-3-5(10)8-2-9-6(3)11-4/h1-2H,(H,8,9,10)

Upstream product

• 4651-81-4 Methyl 2-aminothiophene-3-carboxylate 
• 77287-34-4 formamide 
• 14080-50-3 4-hydroxythieno[2,3-d]pyrimidine 
• 43028-71-3 2-formylaminothiophene-3-carboxamide 
• 4651-82-5 2-amino-3-cyanothiophene 
• 14080-50-3 thieno[2,3-d]pyrimidin-4(3H)one 

Downstream Products

• 56844-12-3 6-bromo-4-chlorothieno[2,3-d]pyrimidine 
• 35970-79-7 4-chloro-6-phenylthieno[2,3-d]pyrimidine 
• 1407964-88-8 4,6-diphenylthieno[2,3-d]pyrimidine 
• 1407964-93-5 4-chloro-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine 
• 1407964-95-7 (R)-6-bromo-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine 
• 1408055-31-1 (R)-6-phenyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine 
• 1407964-94-6 (R)-6-(4-methoxyphenyl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine 
• 1408055-32-2 (R)-N-(1-phenylethyl)-6-(4-(trifluoromethyl)phenyl)thieno[2,3-d]pyrimidin-4-amine 
• 1408055-34-4 (R)-2-(4-((1-phenylethyl)amino)thieno[2,3-d]pyrimidin-6-yl)phenol 
• 1408055-35-5 (R)-6-mesityl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine 
• 1408055-36-6 (R)-N-(1-phenylethyl)-6-(2,4,6-tri-isopropylphenyl)thieno[2,3-d]pyrimidin-4-amine 
• 1407964-96-8 C₂₀H₁₇N₃S*ClH 
• 1407964-98-0 C₂₁H₁₆F₃N₃S*ClH 
• 1407964-97-9 C₂₁H₁₉N₃OS*ClH 

Relevant articles and documents

Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor

Myeloid cell leukemia 1 (Mcl-1) has emerged as an attractive target for cancer therapy. It is an antiapoptotic member of the Bcl-2 family of proteins, whose upregulation in human cancers is associated with high tumor grade, poor survival, and resistance to chemotherapy. Here we report the discovery of our clinical candidate S64315, a selective small molecule inhibitor of Mcl-1. Starting from a fragment derived lead compound, we have conducted structure guided optimization that has led to a significant (3 log) improvement of target affinity as well as cellular potency. The presence of hindered rotation along a biaryl axis has conferred high selectivity to the compounds against other members of the Bcl-2 family. During optimization, we have also established predictive PD markers of Mcl-1 inhibition and achieved both efficient in vitro cell killing and tumor regression in Mcl-1 dependent cancer models. The preclinical candidate has drug-like properties that have enabled its development and entry into clinical trials.

NOVEL PYRIMIDINE DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME

PROBLEM TO BE SOLVED: To provide a novel compound that has a dihydrofolic acid reductase inhibitory activity with improved efficacy, and can extend the range of choices of drug therapy for infections caused by resistant bacteria; an antibacterial agent containing the compound or a salt thereof; and a dihydrofolic acid reductase inhibitor with improved efficacy. SOLUTION: The present invention provides a compound having a 2, 4-diaminopyrimidine skeleton, represented by the formula (I), or a salt thereof, and an antibacterial agent containing the compound or a salt thereof as an active ingredient. SELECTED DRAWING: None COPYRIGHT: (C)2019,JPOandINPIT

THIENOPYRIMIDINONE NMDA RECEPTOR MODULATORS AND USES THEREOF

Disclosed herein, in part, are heteroaromatic compounds and methods of use in treating neuropsychiatric disorders, e.g., schizophrenia and major depressive disorder. Pharmaceutical compositions and methods of making heteroaromatic compounds are provided.