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2-(4-Benzylpiperazin-1-yl)-5-trifluoromethylpyrimidine is a chemical compound with potential pharmacological properties. It contains a piperazine ring and a pyrimidine ring, and is substituted with a benzyl group and a trifluoromethyl group. 2-(4-Benzylpiperazin-1-yl)-5-trifluoromethylpyrimidine has been studied for its potential as an antipsychotic or antidepressant agent, as well as for its potential use in cancer treatment. It may also have potential applications in the field of medicinal chemistry for the development of new drugs. Further research is needed to fully understand the properties and potential uses of 2-(4-Benzylpiperazin-1-yl)-5-trifluoromethylpyrimidine.

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  • 845616-57-1 Structure
  • Basic information

    1. Product Name: 2-(4-Benzylpiperazin-1-yl)-5-trifluoromethylpyrimidine
    2. Synonyms: 2-(4-Benzylpiperazin-1-yl)-5-trifluoromethylpyrimidine
    3. CAS NO:845616-57-1
    4. Molecular Formula: C16H17F3N4
    5. Molecular Weight: 322.3281896
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 845616-57-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 418.7±55.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.284±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 7.03±0.10(Predicted)
    10. CAS DataBase Reference: 2-(4-Benzylpiperazin-1-yl)-5-trifluoromethylpyrimidine(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-(4-Benzylpiperazin-1-yl)-5-trifluoromethylpyrimidine(845616-57-1)
    12. EPA Substance Registry System: 2-(4-Benzylpiperazin-1-yl)-5-trifluoromethylpyrimidine(845616-57-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 845616-57-1(Hazardous Substances Data)

845616-57-1 Usage

Uses

Used in Pharmaceutical Industry:
2-(4-Benzylpiperazin-1-yl)-5-trifluoromethylpyrimidine is used as a potential antipsychotic or antidepressant agent for its potential to modulate neurotransmitter systems and alleviate symptoms of mental health disorders.
Used in Oncology:
2-(4-Benzylpiperazin-1-yl)-5-trifluoromethylpyrimidine is used as a potential anticancer agent, targeting cancer cells and potentially inhibiting their growth and proliferation.
Used in Medicinal Chemistry:
2-(4-Benzylpiperazin-1-yl)-5-trifluoromethylpyrimidine is used as a compound for the development of new drugs, serving as a starting point for the synthesis of novel therapeutic agents with improved efficacy and safety profiles.

Check Digit Verification of cas no

The CAS Registry Mumber 845616-57-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,4,5,6,1 and 6 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 845616-57:
(8*8)+(7*4)+(6*5)+(5*6)+(4*1)+(3*6)+(2*5)+(1*7)=191
191 % 10 = 1
So 845616-57-1 is a valid CAS Registry Number.

845616-57-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine

1.2 Other means of identification

Product number -
Other names -

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:845616-57-1 SDS

845616-57-1Downstream Products

845616-57-1Relevant articles and documents

Selective GlyT1 inhibitors: Discovery of [4-(3-fluoro-5- trifluoromethylpyridin-2-yl)piperazin-1-yl][5-methanesulfonyl-2-((S)-2,2, 2-trifluoro-1-methylethoxy)phenyl]methanone (RG1678), a promising novel medicine to treat schizophrenia

Pinard, Emmanuel,Alanine, Alexander,Alberati, Daniela,Bender, Markus,Borroni, Edilio,Bourdeaux, Patrick,Brom, Virginie,Burner, Serge,Fischer, Holger,Hainzl, Dominik,Halm, Remy,Hauser, Nicole,Jolidon, Synese,Lengyel, Judith,Marty, Hans-Peter,Meyer, Thierry,Moreau, Jean-Luc,Mory, Roland,Narquizian, Robert,Nettekoven, Mathias,Norcross, Roger D.,Puellmann, Bernd,Schmid, Philipp,Schmitt, Sebastien,Stalder, Henri,Wermuth, Roger,Wettstein, Joseph G.,Zimmerli, Daniel

supporting information; experimental part, p. 4603 - 4614 (2010/09/17)

The GlyT1 transporter has emerged as a key novel target for the treatment of schizophrenia. Herein, we report on the optimization of the 2-alkoxy-5-methylsulfonebenzoylpiperazine class of GlyT1 inhibitors to improve hERG channel selectivity and brain penetration. This effort culminated in the discovery of compound 10a (RG1678), the first potent and selective GlyT1 inhibitor to have a beneficial effect in schizophrenic patients in a phase II clinical trial.

Sulfanyl substituted phenyl methanones

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Page/Page column 7, (2008/06/13)

The present invention relates to compounds of formula I wherein R1, R2, R3, X, X1, and n are as defined in the specification and pharmaceutically acceptable acid addition salts thereof. These compounds are good inhibitors of the glycine transporter 1 (GlyT-1) for the treatment CNS disorders, such as schizophrenia, cognitive impairment, and Alzheimer's disease.

Substituted acylpiperazine derivatives

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Page/Page column 22, (2008/06/13)

The invention relates to compounds of formula wherein the substituents are as defined in the specification and to pharmaceutically acceptable acid addition salts thereof. The invention further relates to methods for the treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia and other diseases in which cognitive processes are impaired, such as attention deficit disorders or Alzheimer's disease.

1- (2-AMINO-BENZOL) -PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES

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Page/Page column 148, (2008/06/13)

A compound of formula (I) wherein the substituents are described in claim 1 for the treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia and other diseases in which cognitive processes are impaired, such as attention deficit disorders or Alzheimer's disease.

BENZOYL-PIPERAZINE DERIVATIVES

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Page/Page column 28, (2008/06/13)

The invention relates to compounds of formula wherein the substituents are described herein. The compounds may be used in the treatment of illnesses based on the glycine uptake inhibitor, such as psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia and other diseases in which cognitive processes are impaired, such as attention deficit disorders or Alzheimer's disease.

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