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(2,6-DICHLOROPYRIMIDIN-4-YL)-(4-FLUOROPHENYL)METHANONE is a chemical compound characterized by its unique structure, which consists of a pyrimidinyl and a fluorophenyl group connected through a methanone bridge. (2,6-DICHLOROPYRIMIDIN-4-YL)-(4-FLUOROPHENYL)METHANONE is known for its potential applications in the field of medicinal chemistry, particularly as a precursor or intermediate in the synthesis of various biologically active molecules.
Used in Pharmaceutical Industry:
(2,6-DICHLOROPYRIMIDIN-4-YL)-(4-FLUOROPHENYL)METHANONE is used as a research compound for the identification and development of selective inhibitors targeting Itk, a protein tyrosine kinase enzyme. These inhibitors can play a crucial role in understanding the enzyme's function and its involvement in various cellular processes, which may lead to the discovery of novel therapeutic agents for treating related diseases.
Additionally, due to its structural features, (2,6-DICHLOROPYRIMIDIN-4-YL)-(4-FLUOROPHENYL)METHANONE can be further modified or used as a building block in the synthesis of other bioactive molecules with potential applications in drug discovery and development.

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  • 1099597-81-5 Structure
  • Basic information

    1. Product Name: (2,6-DICHLOROPYRIMIDIN-4-YL)-(4-FLUOROPHENYL)METHANONE
    2. Synonyms: (2,6-DICHLOROPYRIMIDIN-4-YL)-(4-FLUOROPHENYL)METHANONE
    3. CAS NO:1099597-81-5
    4. Molecular Formula: C11H5Cl2FN2O
    5. Molecular Weight: 271
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1099597-81-5.mol
  • Chemical Properties

    1. Melting Point: 95-99℃
    2. Boiling Point: 412.6±40.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.488±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
    8. Solubility: N/A
    9. PKA: -7.46±0.32(Predicted)
    10. CAS DataBase Reference: (2,6-DICHLOROPYRIMIDIN-4-YL)-(4-FLUOROPHENYL)METHANONE(CAS DataBase Reference)
    11. NIST Chemistry Reference: (2,6-DICHLOROPYRIMIDIN-4-YL)-(4-FLUOROPHENYL)METHANONE(1099597-81-5)
    12. EPA Substance Registry System: (2,6-DICHLOROPYRIMIDIN-4-YL)-(4-FLUOROPHENYL)METHANONE(1099597-81-5)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1099597-81-5(Hazardous Substances Data)

1099597-81-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1099597-81-5 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,9,9,5,9 and 7 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1099597-81:
(9*1)+(8*0)+(7*9)+(6*9)+(5*5)+(4*9)+(3*7)+(2*8)+(1*1)=225
225 % 10 = 5
So 1099597-81-5 is a valid CAS Registry Number.

1099597-81-5 Well-known Company Product Price

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  • Alfa Aesar

  • (H32374)  2,6-Dichloro-4-(4-fluorobenzoyl)pyrimidine, 95%   

  • 1099597-81-5

  • 250mg

  • 445.0CNY

  • Detail
  • Alfa Aesar

  • (H32374)  2,6-Dichloro-4-(4-fluorobenzoyl)pyrimidine, 95%   

  • 1099597-81-5

  • 1g

  • 1237.0CNY

  • Detail

1099597-81-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name (2,6-Dichloropyrimidin-4-yl)-(4-fluorophenyl)methanone

1.2 Other means of identification

Product number -
Other names (2,6-DICHLOROPYRIMIDIN-4-YL)-(4-FLUOROPHENYL)METHANONE

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:1099597-81-5 SDS

1099597-81-5Relevant articles and documents

Identification of a novel and selective series of Itk inhibitors via a template-hopping strategy

Alder, Catherine M.,Ambler, Martin,Campbell, Amanda J.,Champigny, Aurelie C.,Deakin, Angela M.,Harling, John D.,Harris, Carol A.,Longstaff, Tim,Lynn, Sean,Maxwell, Aoife C.,Mooney, Chris J.,Scullion, Callum,Singh, Onkar M. P.,Smith, Ian E. D.,Somers, Donald O.,Tame, Christopher J.,Wayne, Gareth,Wilson, Caroline,Woolven, James M.

, p. 948 - 952 (2013/10/22)

Inhibition of Itk potentially constitutes a novel, nonsteroidal treatment for asthma and other T-cell mediated diseases. In-house kinase cross-screening resulted in the identification of an aminopyrazole-based series of Itk inhibitors. Initial work on this series highlighted selectivity issues with several other kinases, particularly AurA and AurB. A template-hopping strategy was used to identify a series of aminobenzothiazole Itk inhibitors, which utilized an inherently more selective hinge binding motif. Crystallography and modeling were used to rationalize the observed selectivity. Initial exploration of the SAR around this series identified potent Itk inhibitors in both enzyme and cellular assays.

PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS

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Page/Page column 109, (2010/10/03)

The invention is directed to certain novel compounds. Specifically, the invention is directed to compounds of formula (I): and salts thereof. The compounds of the invention are inhibitors of kinase activity, in particular ltk activity.

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