1016636-76-2

Basic information

• Product Name: 6-broMo-2-chloro-8-cyclopentyl-5-Methylpyrido[2,3-d]pyriMidin-7(8H)-one
• Synonyms: 6-broMo-2-chloro-8-cyclopentyl-5-Methylpyrido[2,3-d]pyriMidin-7(8H)-on;6-broMo-2-chloro-8-cyclopentyl-5-Methylpyrido[2,3-d]pyriMidin-7(8H)-one;Pyrido[2,3-d]pyriMidin-7(8H)-one, 6-broMo-2-chloro-8-cyclopentyl-5-Methyl-;6-broMo-2-chloro-8-cyclopentyl-5-;6-BroMo-2-chloro-8-cyclopentyl-5-Methyl-8H-pyrido[2,3-d]pyriMidin-7-one;6-bromo-2-chloro-8-cyclopentyl-5-Methylpyrido[2,3-d]pyriMidin-7(8H)-one(For Palbociclib);6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one;PALBOCI
• CAS NO: 1016636-76-2
• Molecular Formula: C13H13BrClN3O
• Molecular Weight: 342.61882
• EINECS: 1592732-453-0
• Product Categories: Anticancer;Palbociclib;PD 0332991
• Mol File: 1016636-76-2.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 468.4±45.0 °C(Predicted)
• Appearance: /
• Density: 1.645±0.06 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility: Chloroform (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly, Sonicated
• PKA: -0.61±0.20(Predicted)
• CAS DataBase Reference: 6-broMo-2-chloro-8-cyclopentyl-5-Methylpyrido[2,3-d]pyriMidin-7(8H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 6-broMo-2-chloro-8-cyclopentyl-5-Methylpyrido[2,3-d]pyriMidin-7(8H)-one(1016636-76-2)
• EPA Substance Registry System: 6-broMo-2-chloro-8-cyclopentyl-5-Methylpyrido[2,3-d]pyriMidin-7(8H)-one(1016636-76-2)

Safety Data

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45
• RIDADR: UN2811
• Hazardous Substances Data: 1016636-76-2(Hazardous Substances Data)

Usage

Use

6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido-[2,3-d]pyrimidin-7(8H)-one is used to prepare pyridino[2,3-d]pyrimidin-7(8H)-one derivatives as CDK4 and/or CDK6 inhibitors useful in the treatment of diseases.

Uses

6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido-[2,3-d]pyrimidin-7(8H)-one is used to prepare pyridino[2,3-d]pyrimidin-7(8H)-one derivatives as CDK4 and/or CDK6 inhibitors useful in the treatment of diseases.

InChI:InChI=1S/C13H13BrClN3O/c1-7-9-6-16-13(15)17-11(9)18(12(19)10(7)14)8-4-2-3-5-8/h6,8H,2-5H2,1H3

Upstream product

• 1003-03-8 Cyclopentamine 
• 733039-20-8 5-bromo-2-chloro-N-cyclopentylaminopyrimidine-4-amine 
• 23755-73-9 triethyl bromophosphonoacetate 
• 1244949-62-9 C₁₁H₁₄ClN₃O 
• 1013916-37-4 2-chloro-5-methyl-8-cyclopentylpyridin[2,3-d]pyrimidin-8-hydro-7-one 

Downstream Products

• 571188-82-4 tert?butyl 4?(6?((6?bromo?8?cyclopentyl?5?methyl?7?oxo?7,8?dihydropyrido[2,3?d]pyrimidin?2?yl)amino)pyridin?3?yl)piperazine?1?carboxylate 
• 866084-31-3 tert?butyl 4?(6?((6?(1?butoxyvinyl)?8?cyclopentyl?5?methyl?7?oxo?7,8?dihydropyrido[2,3?d]pyrimidin?2?yl)amino)pyridin?3?yl)piperazine?1?carboxylate 
• 571190-30-2 PD 0332991 
• 1651214-74-2 4-[6-(6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-ylamino)pyridine-3-yl]piperazine-1-carboxylic acid tert-butyl ester 
• 850628-81-8 6-acetyl-8-cyclopentyl-5-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one 
• 827022-33-3 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one isethionate 
• 827022-33-3 PD 0332991 isethionate 

Relevant articles and documents

Preparation method of CDK4/6 kinase inhibitor SHR6390

The invention relates to a preparation method of a CDK4/6 kinase inhibitor SHR6390. According to the preparation method disclosed by the invention, the SHR6390 can be rapidly and effectively prepared through six steps of chemical reactions. In the first step of reaction, the advantage of high reaction activity of the fourth site of pyrimidine is fully utilized, a target product compound 3 can be well obtained under mild conditions, in the fourth step of reaction, after-treatment of the synthesis reaction of a compound 8 is simple, a good white solid product can be obtained basically through filtration and washing, purification is not needed, and the method is suitable for amplification and process production.

Preparation method of palbociclib intermediate

The invention discloses a preparation method of a palbociclib intermediate. The method comprises the following steps: preparing 5-bromine-2-chloro-N-cyclopentylamine pyrimidine-4 amine from 5-bromine-2,4-dichloropyrimidine and cyclopentylamine by taking solvents such as dichloromethane and water as solvents and taking inorganic base as an acid-binding agent; with DIEA as an acid-binding agent, DMF as a solvent and TBAB as a phase transfer catalyst, in the presence of water, catalyzing with a trace amount of palladium, and carrying out normal hexane reflux dehydration; further subjecting the acetic anhydride to dehydration cyclization, such that 2-chloro-8-cyclopentyl-5-methylpyridino[2,3-D]pyrimidine-7-(8H)-ketone is obtained; and reacting the obtained compound with NBS (N-bromosuccinimide) in acetonitrile to obtain the 6-bromo-2-chloro-8-cyclopentyl-5-methylpyridino[2, 3-D]pyrimidine-7(8H)-ketone. The method is mild in reaction, simple and convenient to operate, recyclable in solvent, less in environmental pollution, high in yield, low in cost, high in product quality and suitable for industrial production.

Preparation method of compound containing chlorobromopyrrole pyrimidinone structure

The invention provides a preparation method of a compound containing a chlorobromopyrrole pyrimidinone structure. The invention relates to the field of chemical synthesis, in particular to an industrial preparation method of a 6-bromo-2-chloro-8-cyclopentyl--5methyl-pyrido[2,3-d]pyrimidine-7(8H) ketone Palbociclib intermediate with a structure as shown in a formula (I) which is described in the specification. According to the method, a compound shown as a formula (II) is used as a raw material, reacts under the conditions of a specific bromination reagent and acid, and is treated by an aqueoussolution of a reducing inorganic salt to obtain a compound shown as a formula (I). Moreover, compared with a traditional process, the preparation method disclosed by the invention is simple and convenient to operate, high in product yield, high in product purity and suitable for industrial production, and has a great implementation value and social and economic benefits.