694499-26-8 Usage
Description
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline is an organic compound with a molecular formula of C11H16F3N3. It is characterized by the presence of a trifluoromethyl group at the 3-position and a 4-methylpiperazinomethyl group at the 4-position, attached to an aniline moiety. 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline is typically used as an intermediate in the synthesis of various organic and pharmaceutical compounds.
Uses
Used in Organic Synthesis:
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline is used as an intermediate in organic synthesis for the preparation of various chemical and pharmaceutical compounds. Its unique structural features, including the trifluoromethyl and 4-methylpiperazinomethyl groups, make it a valuable building block in the development of new molecules with potential applications in various industries.
Used in Pharmaceutical Synthesis:
In the pharmaceutical industry, 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline is used as a key intermediate in the synthesis of drugs with diverse therapeutic applications. Its incorporation into drug molecules can potentially enhance their pharmacological properties, such as potency, selectivity, and bioavailability.
Used in Laboratory Research and Development:
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline is also utilized in laboratory research and development settings. Researchers use this compound to explore its chemical reactivity, investigate its potential applications in the synthesis of new compounds, and study its interactions with various biological targets.
Synthesis
4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline Into a solution 4-methyl-1-(4-nitro-2-(trifluoromethyl)benzyl)piperazine (1.5 g, 5 mmol) in MeOH (250 mL) was added Raney Nickel (0.15 g, 10 wt %). The suspension was stirred under hydrogen atmosphere (50 psi) for 24 hrs and monitored by TLC. The reaction mixture was filtered through celite and the filtrate was concentrated under reduced pressure to yield the desired product (1.36 g, 100%). 1H NMR (300 MHz, CDCl3) δ: 7.43-7.46 (1H, d, J=9.0 Hz), 6.91 (1H, s), 6.77-6.80 (1H, d J=9.0 Hz), 3.77 (2H, s), 3.54 (2H, s), 2.53 (8H, brs), 2.34 (3H, s).
Check Digit Verification of cas no
The CAS Registry Mumber 694499-26-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,9,4,4,9 and 9 respectively; the second part has 2 digits, 2 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 694499-26:
(8*6)+(7*9)+(6*4)+(5*4)+(4*9)+(3*9)+(2*2)+(1*6)=228
228 % 10 = 8
So 694499-26-8 is a valid CAS Registry Number.
694499-26-8Relevant articles and documents
Insights into the modular design of kinase inhibitors and application to Abl and Axl
Johnson, Taylor K.,Lachacz, Eric J.,Lopez-Barcons, Lluis,Merajver, Sofia D.,Phadke, Sameer,Soellner, Matthew B.,Vandecan, Nathalie,Wu, Zhifen
, p. 64 - 71 (2022/02/26)
Scaffold hopping is a common strategy for generating kinase inhibitors that bind to the DFG-out inactive conformation. Small structural differences in inhibitor scaffolds can have significant effects on potency and selectivity across the kinome, however, these effects are often not studied in detail. Herein, we outline a design strategy to generate an array of DFG-out conformation inhibitors with three different hinge-binders and two DFG-pocket groups. We studied inhibitor selectivity across a large segment of the kinome and elucidated binding preferences that can be used in scaffold hopping campaigns. Using these analyses, we identified two selective inhibitors that display low nanomolar potency against Axl or wild-type and clinically relevant mutants of Abl.
Alkynyl pyrimidine or alkynyl pyridine compound as well as composition and application thereof
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, (2020/08/18)
The invention relates to alkynyl pyrimidine or alkynyl pyridine compounds represented by a formula (I) or pharmaceutically acceptable salts, isomers, solvates, crystals or prodrugs thereof. The invention also discloses a pharmaceutical composition contain
NOVEL INHIBITORS OF MAP4K1
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Page/Page column 67; 68, (2018/12/13)
The invention relates to novel inhibitors of MAP4K1 (HPK1) useful for the treatment of diseases or disorders characterised by dysregulation of the signal transduction pathways associated with MAPK activation, including hyperproliferative diseases, diseases of immune system dysfunction, inflammatory disorders, neurological diseases, and cardiovascular diseases. The invention further relates to pharmaceutical compositions comprising the same and methods of treatment of said diseases and disorders. The inhibitors are of formula (I) wherein the definitions for A, D, E, F, R5, R6, R7, Z, ring Q, n, x and y are as given in the application.
