18960-29-7

Basic information

• Product Name: 1-(4-TRIFLUOROMETHYL)PHENYLBIGUANIDE HYDROCHLORIDE
• Synonyms: BUTTPARK 24\01-88;1-(4-TRIFLUOROMETHYL)PHENYLBIGUANIDE HYDROCHLORIDE;4-(TRIFLUOROMETHYL)PHENYLBIGUANIDE HYDROCHLORIDE;1-(4-TRIFLUOROMETHYL)PHENYLBIGUANIDE, H&;N-[4-(Trifluoromethyl)phenyl]imidodicarbonimidic diamide hydrochloride, 4-(N'-carbamimidoylcarbamimidamido)-alpha,alpha,alpha-trifluorotoluene hydrochloride
• CAS NO: 18960-29-7
• Molecular Formula: C₉H₁₀F₃N₅*ClH
• Molecular Weight: 281.67
• Mol File: 18960-29-7.mol
• Article Data: 3

Chemical Properties

• Melting Point: 209-213 °C(lit.)
• Boiling Point: 391°C at 760 mmHg
• Flash Point: 190.3°C
• Appearance: /
• Vapor Pressure: 2.54E-06mmHg at 25°C
• CAS DataBase Reference: 1-(4-TRIFLUOROMETHYL)PHENYLBIGUANIDE HYDROCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-TRIFLUOROMETHYL)PHENYLBIGUANIDE HYDROCHLORIDE(18960-29-7)
• EPA Substance Registry System: 1-(4-TRIFLUOROMETHYL)PHENYLBIGUANIDE HYDROCHLORIDE(18960-29-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 18960-29-7(Hazardous Substances Data)

Usage

General Description

1-(4-Trifluoromethyl)phenylbiguanide hydrochloride is a chemical compound with potential application in pharmaceutical and medical research. It is derived from biguanide, a class of compounds commonly used in the treatment of type 2 diabetes. This particular compound has a trifluoromethylphenyl group, which may confer specific pharmacological properties. It is a hydrochloride salt, which can affect its solubility and stability in different environments. Its potential biological activity and therapeutic uses are the subject of ongoing research and investigation in the fields of pharmacology and medicine.

InChI:InChI=1/C9H10F3N5.ClH/c10-9(11,12)5-1-3-6(4-2-5)16-8(15)17-7(13)14;/h1-4H,(H6,13,14,15,16,17);1H

Upstream product

• 455-14-1 4-trifluoromethylphenylamine 
• 127099-85-8 N-Cyanoguanidine 

Downstream Products

• 86176-98-9 N-(4-Hydroxy-6-trifluoromethyl-pyrimidin-2-yl)-N'-(4-trifluoromethyl-phenyl)-guanidine 
• 3796-35-8 1-carbamimidamido-N-[4-(trifluoromethyl)phenyl]methanimidamide 
• 86177-30-2 N-[4-(4-Benzyloxy-3-diethylaminomethyl-phenylamino)-6-trifluoromethyl-pyrimidin-2-yl]-N'-(4-trifluoromethyl-phenyl)-guanidine 
• 86177-27-7 N-{4-[4-Hydroxy-3-(4-methyl-piperazin-1-ylmethyl)-phenylamino]-6-trifluoromethyl-pyrimidin-2-yl}-N'-(4-trifluoromethyl-phenyl)-guanidine 
• 86177-29-9 N-[4-(3-Diethylaminomethyl-4-methoxy-phenylamino)-6-trifluoromethyl-pyrimidin-2-yl]-N'-(4-trifluoromethyl-phenyl)-guanidine 
• 86177-26-6 N-[4-(3-Diethylaminomethyl-4-hydroxy-phenylamino)-6-trifluoromethyl-pyrimidin-2-yl]-N'-(4-trifluoromethyl-phenyl)-guanidine 
• 86177-28-8 N-[4-(3-Ethylaminomethyl-4-methoxy-phenylamino)-6-trifluoromethyl-pyrimidin-2-yl]-N'-(4-trifluoromethyl-phenyl)-guanidine 
• 86177-25-5 N-[4-(3-Dimethylaminomethyl-4-hydroxy-phenylamino)-6-trifluoromethyl-pyrimidin-2-yl]-N'-(4-trifluoromethyl-phenyl)-guanidine 

Relevant articles and documents

Identifying Lysophosphatidic Acid Acyltransferase β (LPAAT-β) as the Target of a Nanomolar Angiogenesis Inhibitor from a Phenotypic Screen Using the Polypharmacology Browser PPB2

By screening a focused library of kinase inhibitor analogues in a phenotypic co-culture assay for angiogenesis inhibition, we identified an aminotriazine that acts as a cytostatic nanomolar inhibitor. However, this aminotriazine was found to be completely inactive in a whole-kinome profiling assay. To decipher its mechanism of action, we used the online target prediction tool PPB2 (http://ppb2.gdb.tools), which suggested lysophosphatidic acid acyltransferase β (LPAAT-β) as a possible target for this aminotriazine as well as several analogues identified by structure–activity relationship profiling. LPAAT-β inhibition (IC50 ≈15 nm) was confirmed in a biochemical assay and by its effects on cell proliferation in comparison with a known LPAAT-β inhibitor. These experiments illustrate the value of target-prediction tools to guide target identification for phenotypic screening hits and significantly expand the rather limited pharmacology of LPAAT-β inhibitors.

Synthesis and antifilarial activity of N-[4-[[4-alkoxy-3-[(dialkylamino)methyl]phenyl]amino]-2-pyrimidinyl]-N'-ph enylguanidines

A series of N-[4-[[4-alkoxy-3-[(dialkylamino)methyl]phenyl]amino]-2-pyrimidinyl]-N' -phenylguanidines have been synthesized for antifilarial evaluation. Reaction of the appropriate benzenamines with N-cyanoguanidine, followed by condensation of the result