1127-85-1

Basic information

• Product Name: 2,4-DICHLORO-5,6,7,8-TETRAHYDROQUINAZOLINE
• Synonyms: 2,4-DICHLORO-5,6,7,8-TETRAHYDROQUINAZOLINE
• CAS NO: 1127-85-1
• Molecular Formula: C₈H₈Cl₂N₂
• Molecular Weight: 189.044
• Mol File: 1127-85-1.mol
• Article Data: 26

Chemical Properties

• Melting Point: 72-73 °C
• Boiling Point: 306.7 °C at 760 mmHg
• Flash Point: 168.1 °C
• Appearance: /
• Density: 1.466 g/cm³
• Vapor Pressure: 0.00137mmHg at 25°C
• Refractive Index: 1.605
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -1.77±0.20(Predicted)
• CAS DataBase Reference: 2,4-DICHLORO-5,6,7,8-TETRAHYDROQUINAZOLINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-DICHLORO-5,6,7,8-TETRAHYDROQUINAZOLINE(1127-85-1)
• EPA Substance Registry System: 2,4-DICHLORO-5,6,7,8-TETRAHYDROQUINAZOLINE(1127-85-1)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26
• Hazardous Substances Data: 1127-85-1(Hazardous Substances Data)

Usage

General Description

2,4-Dichloro-5,6,7,8-tetrahydroquinazoline, also known as DCPTQ, is a synthetic chemical compound with the molecular formula C9H8Cl2N2. It is a member of the tetrahydroquinazoline family and is often used as a building block in the synthesis of pharmaceutical compounds and agrochemicals. DCPTQ is a white to beige crystalline solid with a melting point of around 142-143°C. It is not considered to be highly toxic or hazardous, but like all chemicals, proper handling and storage procedures should be followed to ensure safety.

InChI:InChI=1/C7H6Cl2N2/c8-6-4-2-1-3-5(4)10-7(9)11-6/h1-3H2

Upstream product

• 35042-48-9 2,4-Dihydroxy-5,6,7,8-tetrahydroquinazoline 
• 1655-07-8 ethyl 2-oxocyclohexane carboxylate 
• 86-96-4 quinazoline-2,4-diol 
• 35042-48-9 5,6,7,8-tetrahydroquinazoline-2,4(1H,3H)-dione 
• 41302-34-5 2-(methoxycarbonyl)cyclohexanone 
• 34170-21-3 2-(methylthio)-5,6,7,8-tetrahydroquinazolin-4-ol 

Downstream Products

• 81532-46-9 2-chloro-4-phenoxy-5,6,7,8-tetrahydroquinazoline 
• 76781-27-6 2-[4-(2-Methylphenyl)piperazino]-4-amino-5,6-tetramethylenepyrimidine 
• 76781-15-2 2-(4-Benzoylpiperazino)-4-amino-5,6-tetramethylenepyrimidine 
• 76781-26-5 2-[4-(4-Chlorophenyl)piperazino]-4-amino-5,6-tetramethylenepyrimidine 
• 76781-16-3 4-amino-2-(4-cinnamoylpiperazino)-5,6,7,8-tetrahydroquinazoline 
• 76781-20-9 4-amino-2-(4-phenylcarbamoylpiperazino)-5,6,7,8-tetrahydroquinazoline 
• 76781-23-2 4-amino-2-(4-benzylthiocarbamoylpiperazino)-5,6,7,8-tetrahydroquinazoline 
• 76781-24-3 4-amino-2-<4-(p-toluenesulfonyl)piperazino>-5,6,7,8-tetrahydroquinazoline 
• 76781-25-4 2-(4-Phenylpiperazino)-4-amino-5,6-tetramethylenepyrimidine 
• 76781-28-7 2-[4-(4-Methylphenyl)piperazino]-4-amino-5,6-tetramethylenepyrimidine 
• 76781-12-9 4-amino-2-(4-benzyl-1-piperazinyl)-5,6,7,8-tetrahydroquinazoline dihydrochloride 
• 78042-75-8 4-Ethoxy-2-(4-phenyl-piperazin-1-yl)-5,6,7,8-tetrahydro-quinazoline 
• 78042-68-9 2-(4-Benzyl-piperazin-1-yl)-4-methoxy-5,6,7,8-tetrahydro-quinazoline 
• 78042-70-3 4-Methoxy-2-(4-phenyl-piperazin-1-yl)-5,6,7,8-tetrahydro-quinazoline 

Relevant articles and documents

Discovery of novel pyrimidine molecules containing boronic acid as VCP/p97 Inhibitors

Valine-containing protein (VCP) is a member of the adenosine triphosphate family involved in a variety of cellular activities. VCP/p97 is capable of maintaining protein homeostasis and mediating the degradation of misfolded polypeptides by the ubiquitin–proteasome system (UPS). In this manuscript, a series of novel p97 inhibitors with pyrimidine as core structure were designed, synthesized and biologically evaluated. Based on the enzymatic results, a detailed structure–activity relationship discussion of the synthesized compounds was carried out. Furthermore, cellular activities of the compounds with enzymatic potency of less than 200 nM were investigated by using A549 and RPMI8226 cell lines. Among the screened inhibitors, compound 17 (IC50, 54.7 nM) showed good enzymatic activity. Investigation of cellular activities with non-small cell lung cancer A549 and multiple myeloma (MM) RPMI8226 further confirmed the potency of 17 with the IC50 values of 2.80 μM and 0.86 μM, respectively. Compound 17 is now being developed as a candidate. Finally, docking studies were carried out to explore the possible binding mode between the active inhibitor 17 and p97.

Structure-Based Design and Discovery of Pyridyl-Bearing Fused Bicyclic HIV-1 Inhibitors: Synthesis, Biological Characterization, and Molecular Modeling Studies

Two series of new pyridyl-bearing fused bicyclic analogues designed to target the dual-tolerant regions of the non-nucleoside reverse transcriptase inhibitor (NNRTI)-binding pocket were synthesized and evaluated for their anti-HIV activities. Several comp

KRAS G12C INHIBITORS AND USES THEREOF

The invention relates to compounds of Formula I, and pharmaceutically acceptable salts thereof, and methods of making and using the same. The compounds of the invention are effective in inhibiting KRAS protein with a G12C mutation and are suitable for use in methods of treating cancers mediated, in whole or in part, by KRAS G12C mutation.