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3-(4-Boc-piperazin-1-yl-methyl)-5-trifluoromethylaniline is a complex organic chemical compound characterized by the presence of a piperazine ring, a trifluoromethyl group, and an aniline ring. The Boc (tert-butoxycarbonyl) protecting group is strategically attached to the nitrogen of the piperazine, which plays a crucial role in the compound's reactivity and stability. This structural composition endows the compound with unique pharmacological properties, making it a valuable candidate for medicinal chemistry and drug development.

442846-59-5

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442846-59-5 Usage

Uses

Used in Pharmaceutical Research and Development:
3-(4-Boc-piperazin-1-yl-methyl)-5-trifluoromethylaniline is utilized as a building block in the synthesis of drug molecules due to its piperazine ring, which is a common structural motif in various pharmaceutical agents. The presence of the trifluoromethyl group further enhances the biological activity of the compound, potentially improving its pharmacokinetic and pharmacodynamic profiles.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 3-(4-Boc-piperazin-1-yl-methyl)-5-trifluoromethylaniline serves as a versatile intermediate for the development of novel therapeutic agents. Its unique structural features allow for the design and synthesis of compounds with specific biological targets, such as receptors, enzymes, or ion channels, which can be crucial for the treatment of various diseases.
Used in Drug Design and Optimization:
3-(4-Boc-piperazin-1-yl-methyl)-5-trifluoromethylaniline is employed as a key component in the design and optimization of drug candidates. Its structural elements can be modified or functionalized to fine-tune the compound's properties, such as solubility, stability, and binding affinity to the target, ultimately leading to the development of more effective and safer drugs.
Used in Drug Discovery:
In the drug discovery process, 3-(4-Boc-piperazin-1-yl-methyl)-5-trifluoromethylaniline acts as a starting point for the identification of new chemical entities with potential therapeutic applications. Its unique structural features can be exploited to screen and evaluate the compound's activity against various biological targets, facilitating the discovery of novel drugs with improved efficacy and selectivity.
Overall, 3-(4-Boc-piperazin-1-yl-methyl)-5-trifluoromethylaniline is a promising chemical compound with a wide range of applications in the pharmaceutical industry, particularly in the areas of drug development, medicinal chemistry, and drug discovery. Its unique structural features and potential to enhance the biological activity of compounds make it an invaluable asset in the search for new and effective therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 442846-59-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,4,2,8,4 and 6 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 442846-59:
(8*4)+(7*4)+(6*2)+(5*8)+(4*4)+(3*6)+(2*5)+(1*9)=165
165 % 10 = 5
So 442846-59-5 is a valid CAS Registry Number.
InChI:InChI=1/C17H24F3N3O2/c1-16(2,3)25-15(24)23-6-4-22(5-7-23)11-12-8-13(17(18,19)20)10-14(21)9-12/h8-10H,4-7,11,21H2,1-3H3

442846-59-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 4-[[3-amino-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate

1.2 Other means of identification

Product number -
Other names tert-butyl 4-(3-amino-5-(trifluoromethyl)benzyl)piperazine-1-carboxylate

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:442846-59-5 SDS

442846-59-5Upstream product

442846-59-5Downstream Products

442846-59-5Relevant academic research and scientific papers

SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE

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Page/Page column 118, (2008/06/13)

The present invention provides classes of compounds, including-their pharmaceutically acceptable derivatives, useful for treating angiogenesis and related diseases such as cancer. Formula I and II wherein R is a 9- or 10-membered heterocyclyl ring selected from 7-isoquinolinyl,..2-methyl-3-oxo-2,3-dihydroindazol-6-yl, [1,6]-naphthydrin-3-yl, [1,7]-naphthydrin-2-yl, 1-oxo-2,3-dihydrobenzofuran-4-yl, 3-oxo-2,3-dihydrobenzofuran-5-yl, dihydro-benzodioxinyl, 6-quinazolinyl, 2-amino-6-quinazolinyl, 4-methylamino-6-quinazolinyl, 2,4-diamino-6 quinazolinyl, 3-oxo-3,4-dihydro-1,4-benzoxazin-6-yl, 2,2-difluoro-l;3-benzodioxol-5-yl and 2,2,3,3 tetrafluoro-2,3-dihydro-l,4-benzodioxin-6-yl, each of which is optionally substituted with one or more substituents selected from halo, haloakyl, C1-6 alkyl, C2-8 alkenyl, C2-8 alkynyl, N-dimethylamino-C1-6-alkyl, N-dimethylamino-C1-6-alkoxy, amino, alkyl-carbonylamino, morpholino-sulfonyl, amino-sulfonyl, oxazolyl, pyrrolyl,4 morpholinyl, carboxyl, cyano, and acetyl; wherein R1 in formula I is selected from unsubstituted or substituted phenyl, 5-6 membered heteroaryl, 9-10 membered bicyclic heterocyclyl and 11-14 membered tricyclic heterocyclyl, and R1 in formula II is selected from specific bicyclic heterocycles.

SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE

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Page 88, (2010/02/06)

Selected compounds are effective for prophylaxis and treatment of diseases, such as angiogenesis mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

Substituted alkylamine derivatives and methods of use

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Page 68, (2010/02/05)

Selected amines are effective for prophylaxis and treatment of diseases, such as angiogenesis mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

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