761440-16-8

Basic information

• Product Name: 2,5-dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine
• Synonyms: (2,5-Dichloropyrimidin-4-yl)[2-[(propan-2-yl)sulfonyl]phenyl]amine; 4-Pyrimidinamine, 2,5-dichloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]-; (2,5-Dichloropyrimidin-4-yl)[2-(propane-2-sulfonyl)phenyl]-amine; 2,5-Dichloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]-4-pyrimidinamine; 2,5-Dichloro-N-[2-(propane-1-sulfonyl)phenyl]pyrimidin-4-amine; (2,5-Dichloro-pyrimidin-4-yl)-[2-(propane-1-sulfony)-phenyl]-amine; 2,5-Dichloro-N-(2-(iso-propylsulfonyl)phenyl)-pyrimidin-4-amine; 2,5-Dichloro-N-(2-(isopropylsulfonyl)-phenyl)pyrimidin-4-amine; 2,5-Dichloro-N-[2-(isopropylsulfonyl)phenyl]pyrimidin-4-amine; 2,5-dichloro-n-(2-((1-methylethyl)sulfonyl)phenyl)-4-pyrimidinamine; 2,5-dichloro-N-(2-(isopropyl sulfonyl)phenyl)-pyrimidine-4-amine
• CAS NO: 761440-16-8
• Molecular Formula: C₁₃H₁₃Cl₂N₃O₂S
• Molecular Weight: 346.23112
• Mol File: 761440-16-8.mol
• Article Data: 51

Chemical Properties

• Melting Point: 149.0 to 153.0 °C
• Boiling Point: 538℃
• Flash Point: 279℃
• Appearance: /
• Density: 1.436
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: -0.03±0.10(Predicted)
• CAS DataBase Reference: 2,5-dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine(761440-16-8)
• EPA Substance Registry System: 2,5-dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine(761440-16-8)

Safety Data

• Hazardous Substances Data: 761440-16-8(Hazardous Substances Data)

Usage

Uses

2,5-Dichloro-N-[2-(isopropylsulfonyl)phenyl]pyrimidin-4-amine is used as a reagent in the synthesis of potent and selective anaplastic lymphoma kinase (ALK-5) inhibitors, used as an anti-tumor treatment.

InChI:InChI=1S/C13H13Cl2N3O2S/c1-8(2)21(19,20)11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12/h3-8H,1-2H3,(H,16,17,18)

Upstream product

• 1780-31-0 2,6-dichloro-5-methylpyrimidine 
• 76697-50-2 1-amino-2-(isopropylsulphonyl)benzene 
• 1401466-33-8 4-bromo-2,5-dichloropyrimidine 
• 98-95-3 nitrobenzene 
• 88-73-3 2-Chloronitrobenzene 
• 861343-73-9 2-(isopropylthioether)aniline hydrochloride 
• 1632485-14-3 2,5-dichloro-N-[2-(propan-2-ylsulfanyl)phenyl]pyrimidin-4-amine 
• 137-07-5 2-amino-benzenethiol 
• 6397-33-7 2-aminophenyl isopropyl sulphide 
• 70415-86-0 1-(isopropylsulfonyl)-2-nitrobenzene 
• 70415-85-9 2-(isopropyl sulfanyl)nitrobenzene 
• 5750-76-5 2,4,5-trichloropyrimidine 
• 1493-27-2 ortho-nitrofluorobenzene 

Downstream Products

• 1346447-76-4 5-chloro-N₄-(2-(isopropylsulfonyl)phenyl)-N₂-(3-nitrobenzyl)pyrimidine-2,4-diamine 
• 1346447-79-7 5-chloro-N⁴-(2-(isopropylsulfonyl)phenyl)-N²-(3-nitrophenyl)pyrimidine-2,4-diamine 
• 1346447-77-5 N₂-(3-aminobenzyl)-5-chloro-N₄-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine 
• 1346447-78-6 N-(3-(((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)methyl)phenyl)acrylamide 
• 1346447-80-0 5-chloro-4-N-(2-isopropylsulfonylbenzene)-2-N-(3-aminophenyl)pyrimidine-2,4-diamine 
• 1346447-81-1 N-(3-((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)phenyl)acrylamide 
• 1346447-86-6 N₂-(5-amino-2-methoxybenzyl)-5-chloro-N₄-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine 
• 1346447-87-7 N-(3-(((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)methyl)-4-methoxyphenyl)acrylamide 
• 1346447-85-5 5-chloro-N₄-(2-(isopropylsulfonyl)phenyl)-N₂-(2-methoxy-5-nitrobenzyl)pyrimidine-2,4-diamine 
• 1609170-60-6 (R)-5-chloro-N-2-(2,5-dimethyl-4-(piperidin-4-yl)-2,3-dihydrobenzofuran-7-yl)-N-4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine 
• 1609170-61-7 (R)-5-chloro-N-2-(2,5-dimethyl-4-(1-methylpiperidin-4-yl)-2,3-dihydrobenzofuran-7-yl)-N-4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine 

Relevant articles and documents

Discovery of novel mutant-combating ALK and ROS1 dual inhibitors bearing imidazolidin-2-one moiety with reasonable PK properties

Aiming to identify novel potent ALK and ROS1 dual inhibitors, the relatively bulky piperidine fragment in ceritinib was replaced with substituted imidazolidin-2-one moiety which gave rise to a series of 2,4-diaryl-aminopyrimidine (DAAP) analogs (6–33). SAR studies were conducted based on cellular assays on five cell lines and most compounds exerted moderated to excellent activities. Among them, 15 showed excellent inhibitory activities against ROS1 and ALK positive cell lines, especially Ba/F3G1202R, with IC50 values ranging from 14 to 37 nM. As a continuation, several compounds were tested in enzymatic assays and 15 displayed encouraging activities against wild-type ALK (1.2 nM), ROS1(0.43 nM) as well as extremely resistant ALKL1196M and ALKG1202R mutants with IC50 values of 0.73 nM and 6.7 nM, respectively. To our delight, both cellular and enzymatic results of 15 were in good accordance with western blot assays on H2228 and HCC78 cell lines. Importantly, pharmacokinetic (PK) profiles of 15 were obtained with quite satisfying AUC and Cmax values. Besides, the binding models of 15 with ALKWT, ALKG1202R and ROS1 clearly present the essential interactions within the active site.

CDK inhibitor based on organic arsine as well as preparation method and application of CDK inhibitor

The invention provides a CDK inhibitor based on organic arsine as well as a preparation method and application of the CDK inhibitor. Specifically, the invention providese compounds of Formula I, or stereoisomers or tautomers thereof, or pharmaceutically acceptable salts, hydrates or solvates thereof; and the invention also discloses a preparation method and application thereof. Definitions of allgroups in the formula are shown in the specification.

POTENT AND SELECTIVE DEGRADERS OF ALK

Disclosed are bispecific compounds (degraders) that target ALK or ALK and FAK for degradation. Also disclosed are pharmaceutical compositions containing the degraders and methods of using the bispecific compounds to treat diseases and disorders characterized or mediated by aberrant ALK or ALK and FAK activity.