31058-81-8

Basic information

• Product Name: 2-CHLORO-4-(N,N-DIMETHYLAMINO)PYRIMIDINE
• Synonyms: 2-chloro-4-(dimethylamino)-pyrimidin;2-chloro-n,n-dimethyl-4-pyrimidinamine;2-CHLORO-4-(N,N-DIMETHYLAMINO)PYRIMIDINE;2-CHLORO-4-DIMETHYLAMINOPYRIMIDINE;(2-chloro-pyrimidin-4-yl)-dimethyl-amine;2-chloro-N,N-dimethyl-4-pyrimidinamine(SALTDATA: FREE);NSC 45769
• CAS NO: 31058-81-8
• Molecular Formula: C₆H₈ClN₃
• Molecular Weight: 157.6
• EINECS: 250-450-9
• Product Categories: pharmacetical;Bases & Related Reagents;Nucleotides
• Mol File: 31058-81-8.mol
• Article Data: 9

Chemical Properties

• Melting Point: 77-79°C
• Boiling Point: 284℃
• Flash Point: 125℃
• Appearance: /
• Density: 1.252
• Vapor Pressure: 0.00315mmHg at 25°C
• Refractive Index: 1.576
• Storage Temp.: -20°C Freezer
• Solubility: Chloroform, Ethyl Acetate, Methanol
• PKA: 3.59±0.10(Predicted)
• CAS DataBase Reference: 2-CHLORO-4-(N,N-DIMETHYLAMINO)PYRIMIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-4-(N,N-DIMETHYLAMINO)PYRIMIDINE(31058-81-8)
• EPA Substance Registry System: 2-CHLORO-4-(N,N-DIMETHYLAMINO)PYRIMIDINE(31058-81-8)

Safety Data

• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 36/37
• Hazardous Substances Data: 31058-81-8(Hazardous Substances Data)

Usage

Chemical Properties

White Crystalline Solid

Uses

2-Chloro-4-(N,N-dimethylamino)pyrimidine (cas# 31058-81-8) is a compound useful in organic synthesis.

InChI:InChI=1/C6H8ClN3/c1-10(2)5-3-4-8-6(7)9-5/h3-4H,1-2H3

Upstream product

• 3934-20-1 2,6-Dichloropyrimidine 
• 108-01-0 2-(N,N-dimethylamino)ethanol 
• 124-40-3 dimethyl amine 
• 74-89-5 methylamine 
• 68-12-2 N,N-dimethyl-formamide 

Downstream Products

• 118779-81-0 (4-(dimethylamino)pyrimidin-2-yl)methanol 
• 1220596-42-8 benzyl 2-(4-(dimethylamino)pyrimidin-2-yl)ethylcarbamate 

Relevant articles and documents

Pyrimidinyl Biphenylureas: Identification of New Lead Compounds as Allosteric Modulators of the Cannabinoid Receptor CB1

The allosteric modulator 1-(4-chlorophenyl)-3-(3-(6-(pyrrolidin-1-yl)pyridin-2-yl)phenyl)urea (PSNCBAM-1, 2) bound the cannabinoid receptor 1 (CB1) and antagonized G protein coupling. This compound demonstrated potent anorectic effects similar to the CB1 antagonist rimonabant that once was marketed for the treatment of obesity, suggesting a new chemical entity for the discovery of antiobesity drugs. To increase structural diversity of this class of CB1 ligands, we designed and synthesized two classes of novel analogues, in which the pyridine ring of 2 was replaced by a pyrimidine ring. These positively modulate the binding of the CB1 orthosteric agonist CP55,940 while exhibiting an antagonism of G-protein coupling activity. Interestingly, compounds 7d and 8d demonstrated ERK1/2 phosphorylation mediated via β-arrestin unlike the orthosteric CP55,940 that does so in a G protein-dependent manner. These can serve as new lead compounds for the future development of CB1 allosteric modulators that show biased agonism and potentially antiobesity behavior via a new mechanism.

N-substituted 2′-(aminoaryl)benzothiazoles as kinase inhibitors: Hit identification and scaffold hopping

Starting with a hit from vHTS attained by a docking procedure of virtual compounds into ATP pockets of different kinases applying the 4SCan technology, variations of the adenine mimic resulted in the identification of promising scaffolds, giving rise to in vitro IC50 values in the nanomolar range on different kinases down to 63 nM.

PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF

The present invention encompasses novel substituted pyrimidine compounds of Formula (I): which act as MCH receptor antagonists. These compounds are useful in pharmaceutical compositions whose use includes prophylaxis or treatment of improving memory function, sleeping and arousal, anxiety, depression, mood disorders, seizure, obesity, diabetes, appetite and eating disorders, cardiovascular disease, hypertension, dyslipidemia, myocardial infarction, binge eating disorders including bulimia, anorexia, mental disorders including manic depression, schizophrenia, delirium, dementia, stress, cognitive disorders, attention deficit disorder, substance abuse disorders and dyskinesias including Parkinson’s disease, epilepsy, and addiction.