945895-38-5

Basic information

• Product Name: 3-(2-Chloro-pyrimidin-4-ylamino)-pyrrolidine-1-carboxylic acid tert-butyl ester
• Synonyms: 3-(2-Chloro-pyrimidin-4-ylamino)-pyrrolidine-1-carboxylic acid tert-butyl ester
• CAS NO: 945895-38-5
• Molecular Formula: C13H19ClN4O2
• Molecular Weight: 298.76856
• Mol File: 945895-38-5.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-(2-Chloro-pyrimidin-4-ylamino)-pyrrolidine-1-carboxylic acid tert-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2-Chloro-pyrimidin-4-ylamino)-pyrrolidine-1-carboxylic acid tert-butyl ester(945895-38-5)
• EPA Substance Registry System: 3-(2-Chloro-pyrimidin-4-ylamino)-pyrrolidine-1-carboxylic acid tert-butyl ester(945895-38-5)

Safety Data

• Hazardous Substances Data: 945895-38-5(Hazardous Substances Data)

Upstream product

• 3934-20-1 2,6-Dichloropyrimidine 
• 186550-13-0 3-amino-1-(t-butoxycarbonyl)pyrrolidine 
• 24424-99-5 di-tert-butyl dicarbonate 
• 147081-44-5 (3S)-3-amino-1-(tert-butoxycarbonyl)-pyrrolidine 
• 147081-49-0 (R)-3-aminopyrrolidine-1-carboxylic acid tert-butyl ester 

Relevant articles and documents

UR-DEBa176: A 2,4-Diaminopyrimidine-Type Radioligand Enabling Binding Studies at the Human, Mouse, and Rat Histamine H4 Receptors

Differences in sequence homology between human (h), mouse (m), and rat (r) histamine H4 receptors (H4R) cause discrepancies regarding affinities, potencies, and/or efficacies of ligands and therefore compromise translational animal models and the applicability of radioligands. Aiming at a radioligand enabling robust and comparative binding studies at the h/m/rH4Rs, 2,4-diaminopyrimidines were synthesized and pharmacologically investigated. The most notable compounds identified were two (partial) agonists with comparable potencies at the h/m/rH4Rs: UR-DEBa148 (N-neopentyl-4-(1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine bis(2,2,2-trifluoroacetate), 43), the most potent [pEC50 (reporter gene assay) = 9.9/9.6/10.3] compound in the series being slightly G-protein biased and UR-DEBa176 [(R)-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-neopentylpyrimidin-2-amine bis(2,2,2-trifluoroacetate), 46, pEC50 (reporter gene assay) = 8.7/9.0/9.2], a potential "cold" form of a tritiated H4R ligand. After radiolabeling, binding studies with [3H]UR-DEBa176 ([3H]46) at the h/m/rH4Rs revealed comparable Kd values (41/17/22 nM), low nonspecific binding (11-17%, aKd), and fast associations/dissociations (25-30 min) and disclosed [3H]UR-DEBa176 as useful molecular tool to determine h/m/rH4R binding affinities for H4R ligands.

THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE

The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain oxy phenyl aryl compounds (referred to herein as OPA compounds), as described herein, which, inter alia, inhibit Checkpoint Kinase 2 (CHK2) kinase function. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit CHK2 kinase function, and in the treatment of diseases and conditions that are mediated by CHK2, that are ameliorated by the inhibition of CHK2 kinase function, etc., including proliferative conditions such as cancer, etc., optionally in combination with another agent, for example, (a) a DNA topoisomerase I or II inhibitor; (b) a DNA damaging agent; (c) an antimetabolite or TS inhibitor; (d) a microtubule targeted agent; and (e) ionising radiation.