3029-64-9

Basic information

• Product Name: 2,4,6-TRICHLORO-5-CYANOPYRIMIDINE
• Synonyms: 2,4,6-TRICHLORO-5-CYANOPYRIMIDINE;2,4,6-Ttrichloropyrimidine-5-carbonitrile;2,4,6-trichloropyrimidine-5-carbonitrile;2,4,6-Trichloro-5-pyrimidinecarbonitrile;5-Cyano-2,4,6-trichloropyrimidine;NSC 70961;5-Pyrimidinecarbonitrile,2,4,6-trichloro
• CAS NO: 3029-64-9
• Molecular Formula: C₅Cl₃N₃
• Molecular Weight: 208.43
• Product Categories: pharmacetical;Heterocycle-Pyrimidine series
• Mol File: 3029-64-9.mol

Chemical Properties

• Melting Point: 122-124℃
• Boiling Point: 321℃
• Flash Point: 148℃
• Appearance: /
• Density: 1.74
• Vapor Pressure: 0.00031mmHg at 25°C
• Refractive Index: 1.609
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -9.85±0.39(Predicted)
• CAS DataBase Reference: 2,4,6-TRICHLORO-5-CYANOPYRIMIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,6-TRICHLORO-5-CYANOPYRIMIDINE(3029-64-9)
• EPA Substance Registry System: 2,4,6-TRICHLORO-5-CYANOPYRIMIDINE(3029-64-9)

Safety Data

• Hazardous Substances Data: 3029-64-9(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2,4,6-TRICHLORO-5-CYANOPYRIMIDINE is used as a chemical intermediate for the synthesis of phosphoinositide 3-Kinase (PI3K) β/δ inhibitors. These inhibitors are designed to target and modulate the activity of PI3K β/δ enzymes, which play a crucial role in cellular signaling pathways involved in various diseases, including cancer.
The development of PI3K β/δ inhibitors using 2,4,6-TRICHLORO-5-CYANOPYRIMIDINE as a key intermediate aims to provide novel therapeutic options for the treatment of phosphatase and Tensin Homolog (PTEN) deficiency. PTEN is a tumor suppressor protein that negatively regulates the PI3K/AKT signaling pathway, which is often dysregulated in various cancers. By targeting PI3K β/δ enzymes, these inhibitors can potentially restore the balance of the PI3K/AKT pathway and exhibit anti-cancer effects.

InChI:InChI=1/C5Cl3N3/c6-3-2(1-9)4(7)11-5(8)10-3

Upstream product

• 50270-27-4 2,4,6-trichloropyrimidine-5-carbaldehyde 
• 857200-56-7 2,4,6-trioxo-hexahydro-pyrimidine-5-carboxylic acid amide 

Downstream Products

• 1190399-79-1 C₃₀H₄₀N₈O₃S 
• 1615252-85-1 (S)-2,4-diamino-6-((1-(5-chloro-3-(3-chloro-5-(difluoromethyl)phenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)amino)pyrimidine-5-carbonitrile 
• 1615252-58-8 (S)-5-(5-chloro-2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)-amino)ethyl)-4-oxoquinazolin-3(4H)-yl)isophthalonitrile 
• 1615252-90-8 (S)-2,4-diamino-6-((1-(5-chloro-3-(3-(2,2-difluoroethyl)phenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)amino)-pyrimidine-5-carbonitrile 
• 1615252-18-0 (S)-2,4-diamino-6-(1-(5-chloro-4-oxo-3-(3-(trifluoromethyl)phenyl)-3,4-dihydroquinazolin-2-yl)ethylamino)pyrimidine-5-carbonitrile 
• 1615253-34-3 (S)-2,4-diamino-6-((1-(5-chloro-3-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)amino)pyrimidine-5-carbonitrile 
• 1615251-83-6 (S)-2,4-diamino-6-(1-(5-chloro-3-(3-cyanophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethylamino)pyrimidine-5-carbonitrile 
• 1615251-79-0 (S)-2,4-diamino-6-(1-(5-chloro-3-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethylamino)pyrimidine-5-carbonitrile 
• 1615252-78-2 (S)-2,4-diamino-6-((1-(5-chloro-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)amino)pyrimidine-5-carbonitrile 
• 1615251-87-0 (S)-2,4-diamino-6-(1-(3-(3,5-difluorophenyl)-8-fluoro-4-oxo-3,4-dihydroquinazolin-2-yl)ethylamino)pyrimidine-5-carbonitrile 
• 1615251-82-5 (S)-2,4-diamino-6-((1-(3-(3,5-difluorophenyl)-5-fluoro-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)amino)pyrimidine-5-carbonitrile 
• 1615251-81-4 (S)-2,4-diamino-6-((1-(3-(3,5-difluorophenyl)-5-fluoro-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)amino)pyrimidine-5-carbonitrile 
• 1615251-99-4 (S)-2,4-diamino-6-(1-(3-(3,5-difluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethylamino)pyrimidine-5-carbonitrile 
• 1615253-03-6 (S)-2,4-diamino-6-((1-(5-chloro-3-(3,5-difluorophenyl)-6-fluoro-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)amino)-pyrimidine-5-carbonitrile 

Relevant articles and documents

PYRAZOLOPYRIMIDINE COMPOUND AS PI3K INHIBITOR AND USE THEREOF

The present application relates to a pyrazolopyrimidine compound of Formula (I) and a pharmaceutically acceptable salt thereof. Such compounds can be used to inhibit the activity of a lipid kinase PI3K, and can also be used to treat diseases mediated by P

Pyrimidine, pyrazine and triazine derivatives

The present invention is a pyrimidine, triazine or pyrazine derivative of the formula or a pharmaceutically acceptable salt thereof wherein R1, R2, R3, R4, X, Y and Z are as defined in the specification. The invention is a pharmaceutical composition containing an effective amount of the compound of formula 1, its preparation and to a method of treatment, control or prevention of acute and/or chronic neurological disorders by administering a therapeutically effective amount of a compound of formula 1.

Herbicidal 5-pyrimidinecarbonitriles

5-Pyrimidinecarbonitriles, having amino substituents in the 2 and 6 positions and an alkoxy substituent in the 4 position, exhibit herbicidal activity. The preparation of novel active compounds and intermediates in this class is described; herbicidal compositions containing the active compounds are illustrated; and methods for utilizing the herbicidal compositions to control plant growth are disclosed.

2,4,5,6-Tetrasubstituted pyrimidines and salts thereof

Compounds of the formula SPC1 Wherein R1 is alkoxy of 1 to 3 carbon atoms, morpholino, thiomorpholino, 1-oxido-thiomorpholino, 1,1-dioxido-thiomorpholino, or EQU1 where A is hydrogen, alkanoyl of 1 to 4 carbon atoms, alkenoyl of 2 to 4 carbon atoms, methoxy-(alkanoyl of 1 to 4 carbon atoms), carboxyl-(alkanoyl of 1 to 4 carbon atoms), acetyl-(alkanoyl of 1 to 4 carbon atoms), methoxy-(alkenoyl of 2 to 4 carbon atoms), carboxyl-(alkenoyl of 2 to 4 carbon atoms), acetyl-(alkenoyl of 2 to 4 carbon atoms), aminocarbonyl, mono(alkyl of 1 to 4 carbon atoms)-aminocarbonyl, di-(alkyl of 1 to 4 carbon atoms)-aminocarbonyl, methoxymethylaminocarbonyl, pyridinoyl, salicyloyl, furanoyl, or (alkyl of 1 to 3 carbon atoms)-sulfonyl, R2 is morpholino, thiomorpholino, 1-oxido-thiomorpholino, 1,1-dioxido-thiomorpholino, piperazino or N'-[acetyl-(alkanoyl of 1 to 3 arbon atoms)]-piperazino, R3 is hydrogen, chlorine, bromine, nitro, cyano, formyl, acetyl or carbalkoxy of 2 to 4 carbon atoms, and R4 is hydrogen, chlorine, bromine, cyano, carbalkoxy of 2 to 4 carbon atoms, alkyl of 1 to 6 carbon atoms, mono(carbalkoxy of 2 to 4 carbon atoms)-alkyl of 1 to 6 carbon atoms, di(carbalkoxy of 2 to 4 carbon atoms)-alkyl of 1 to 6 carbon atoms, hydroxyl, allyloxy, alkoxy of 1 to 6 carbon atoms, mercapto, allylmercapto, (alkyl of 1 to 6 carbon atoms)-mercapto, 1-oxidothiomorpholino, or where B is hydrogen, alkyl of 1 to 3 carbon atoms, cyclohexyl, phenyl, chloro-phenyl, carboxy-phenyl, carbomethoxy-phenyl or pyridyl, And non-toxic, pharmacologically acceptable acid addition salts thereof; the compounds as well as the salts are useful as antithrombotics.