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4-(2-chloro-5-fluoro-pyrimidin-4-yl)-morpholine is a chemical compound characterized by a molecular formula C9H10ClFN4O. It is a morpholine derivative featuring a pyrimidine ring that is substituted with a chloro and a fluoro group. 4-(2-chloro-5-fluoro-pyrimidin-4-yl)-morpholine is recognized for its potential pharmaceutical applications, particularly in the development of antiviral and antitumor drugs. Its unique properties, conferred by the morpholine ring, make it a valuable asset in medicinal chemistry research. Furthermore, its heterocyclic structure positions it as a significant tool in drug discovery and development, highlighting its versatility and potential in the pharmaceutical industry.

31646-53-4

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31646-53-4 Usage

Uses

Used in Pharmaceutical Industry:
4-(2-chloro-5-fluoro-pyrimidin-4-yl)-morpholine is used as a building block for the synthesis of various biologically active compounds due to its unique structural features and potential to enhance the therapeutic properties of drugs.
Used in Antiviral Drug Development:
In the field of antiviral research, 4-(2-chloro-5-fluoro-pyrimidin-4-yl)-morpholine is utilized as a key component in the creation of new antiviral agents, leveraging its ability to interact with viral mechanisms and potentially inhibiting viral replication.
Used in Antitumor Drug Development:
4-(2-chloro-5-fluoro-pyrimidin-4-yl)-morpholine is employed as a component in the development of antitumor drugs, where its heterocyclic nature may contribute to the inhibition of tumor growth and the disruption of cancer cell functions.
Used in Medicinal Chemistry Research:
4-(2-chloro-5-fluoro-pyrimidin-4-yl)-morpholine serves as a valuable tool in medicinal chemistry, where its structural attributes are harnessed to explore new avenues in drug design and to understand the mechanisms of action of potential therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 31646-53-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,1,6,4 and 6 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 31646-53:
(7*3)+(6*1)+(5*6)+(4*4)+(3*6)+(2*5)+(1*3)=104
104 % 10 = 4
So 31646-53-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H9ClFN3O/c9-8-11-5-6(10)7(12-8)13-1-3-14-4-2-13/h5H,1-4H2

31646-53-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(2-Chloro-5-fluoropyrimidin-4-yl)morpholine

1.2 Other means of identification

Product number -
Other names 4-(2-chloro-5-fluoro-pyrimidin-4-yl)morpholine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:31646-53-4 SDS

31646-53-4Relevant academic research and scientific papers

Overcoming Time-Dependent Inhibition (TDI) of Cytochrome P450 3A4 (CYP3A4) Resulting from Bioactivation of a Fluoropyrimidine Moiety

Mandal, Mihirbaran,Mitra, Kaushik,Grotz, Diane,Lin, Xinjie,Palamanda, Jairam,Kumari, Pramila,Buevich, Alexei,Caldwell, John P.,Chen, Xia,Cox, Kathleen,Favreau, Leonard,Hyde, Lynn,Kennedy, Matthew E.,Kuvelkar, Reshma,Liu, Xiaoxiang,Mazzola, Robert D.,Parker, Eric,Rindgen, Diane,Sherer, Edward,Wang, Hongwu,Zhu, Zhaoning,Stamford, Andrew W.,Cumming, Jared N.

supporting information, p. 10700 - 10708 (2018/11/27)

Herein we describe structure-activity relationship (SAR) and metabolite identification (Met-ID) studies that provided insight into the origin of time-dependent inhibition (TDI) of cytochrome P450 3A4 (CYP3A4) by compound 1. Collectively, these efforts revealed that bioactivation of the fluoropyrimidine moiety of 1 led to reactive metabolite formation via oxidative defluorination and was responsible for the observed TDI. We discovered that substitution at both the 4- and 6-positions of the 5-fluoropyrimidine of 1 was necessary to ameliorate this TDI as exemplified by compound 19.

Discovery of KDM5A inhibitors: Homology modeling, virtual screening and structure-activity relationship analysis

Wu, Xiaoai,Fang, Zhen,Yang, Bo,Zhong, Lei,Yang, Qiuyuan,Zhang, Chunhui,Huang, Shenzhen,Xiang, Rong,Suzuki, Takayoshi,Li, Lin-Li,Yang, Sheng-Yong

supporting information, p. 2284 - 2288 (2016/04/20)

Herein we report the discovery of a series of new KDM5A inhibitors. A three-dimensional (3D) structure model of KDM5A jumonji domain was firstly established based on homology modeling. Molecular docking-based virtual screening was then performed against c

Antibacterial Compounds

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Paragraph 0500; 0501, (2013/10/07)

The present invention provides a compound of the following formula, salts, racemates, diastereomers, enantiomers, esters, carbamates, phosphates, sulfates, deuterated forms and prodrugs thereof. Also provided is the use of these compounds as antibacterials, compositions comprising them and processes for their manufacture.

IMIDAZOTRIAZINONE COMPOUNDS

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Paragraph 0666; 0667; 0668, (2013/10/08)

The present invention provides imidazotriazinone compounds which are inhibitors of phosphodiesterase 9 and pharmaceutically acceptable salt thereof. The present invention further provides processes, pharmaceutical compositions, pharmaceutical preparations and pharmaceutical use of the compounds in the treatment of PDE9 associated diseases or disorders in mammals, including humans.

Facile and regioselective synthesis of novel 2,4-disubstituted-5- fluoropyrimidines as potential kinase inhibitors

Wada, Hiroki,Cheng, Lili,Jiang, Ji,Jiang, Zhigan,Xie, Jun,Hu, Tao,Sanganee, Hitesh,Luker, Tim

scheme or table, p. 1720 - 1724 (2012/05/04)

2,4-Disubstituted-5-fluoropyrimidine is a biologically active molecular core seen in various anticancer agents such as 5-fluorouracil (5-FU). As part of a programme aimed at discovering kinase inhibitors, routes to two series of novel compounds (5-fluorop

Theramutein modulators

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Page/Page column 168, (2010/02/17)

This invention relates to agents that are inhibitors or activators of variant forms of endogenous proteins and novel methods of identifying such variants. Of particular interest are inhibitors and activators of endogenous protein variants, encoded by genes which have mutated, which variants often arise or are at least first identified as having arisen following exposure to a chemical agent which is known to be an inhibitor or activator of the corresponding unmutated endogenous protein.

THERAMUTEIN MODULATORS

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Page/Page column 199, (2008/12/07)

This invention relates to agents that are inhibitors or activators of variant forms of endogenous proteins and novel methods of identifying such variants. Of particular interest are inhibitors and activators of endogenous protein variants, encoded by genes which have mutated, which variants often arise or are at least first identified as having arisen following exposure to a chemical agent which is known to be an inhibitor or activator of the corresponding unmutated endogenous protein.

SYNTHESIS AND AMINATION OF 2,4-DICHLORO-5-FLUOROPYRIMIDINE

Kovalenko, A. L.,Krutikov, V. I.,Zolotukhina, M. M.,Alekseeva, L. E.

, p. 1122 - 1125 (2007/10/02)

2,4-Dichloro-5-fluoropyrimidine was prepared by the chlorination of 5-fluorouracil with phosphorus pentachloride in absence of solvent.The reaction of 2,4-dichloro-5-pyrimidine with primary and secondary aliphatic and heteroaromatic amines in an aqueous medium yields 2-chloro-4-RR'-amino-5-fluoropyrimidines, with stereoselective substitution of chlorine in the C4 position.The substances obtained have well-defined fungicidal activity.

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