110821-29-9

Basic information

• Product Name: 5-AMINO-1-[5-(FLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
• Synonyms: 5-AMINO-1-[5-(FLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;5-AMINO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;Ethyl 5-aMino-1-(3-(fluoroMethyl)phenyl)-1H-pyrazole-4-carboxylate;1H-Pyrazole-4-carboxylicacid, 5-amino-1-[3-(trifluoromethyl)phenyl]-, ethyl ester
• CAS NO: 110821-29-9
• Molecular Formula: C₁₃H₁₂F₃N₃O₂
• Molecular Weight: 263.27
• Mol File: 110821-29-9.mol
• Article Data: 5

Chemical Properties

• Melting Point: 115-117 °C
• Boiling Point: 390.6±42.0 °C(Predicted)
• Appearance: /
• Density: 1.39±0.1 g/cm3(Predicted)
• PKA: 0.75±0.14(Predicted)
• CAS DataBase Reference: 5-AMINO-1-[5-(FLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 5-AMINO-1-[5-(FLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER(110821-29-9)
• EPA Substance Registry System: 5-AMINO-1-[5-(FLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER(110821-29-9)

Safety Data

• Hazardous Substances Data: 110821-29-9(Hazardous Substances Data)

Upstream product

• 98-16-8 3-trifluoromethylaniline 
• 368-78-5 3-(trifluoromethyl)phenylhydrazine 
• 94-05-3 ethyl (ethoxymethylene)cyanoacetate 
• 3107-33-3 3-(trifluoromethyl)phenylhydrazine hydrochloride 
• 71648-24-3 2-cyano-3-ethoxyacrylate 

Downstream Products

• 1224942-12-4 5-amino-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [2-(3-trifluoromethyl-phenyl)-2H-pyrazol-3-yl]-amide 
• 1224944-88-0 5-chloro-N-(1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide 
• 78119-07-0 BW 755C 
• 110821-31-3 1-(3-Trifluoromethyl-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester 

Relevant articles and documents

Deciphering the robustness of pyrazolo-pyridine carboxylate core structure-based compounds for inhibiting α-synuclein in transgenic C. elegans model of Synucleinopathy

Parkinson's disease (PD), a calamitous neurodegenerative disorder with no cure till date, is closely allied with the misfolding and aggregation of α-Synuclein (α -Syn). Inhibition of α-Syn aggregation is one of the optimistic approaches for the treatment for PD. Here, we carried out hypothesis-driven studies towards synthesising a series of pyrazolo-pyridine carboxylate containing compounds (7a–7m) targeted at reducing deleterious α-Syn aggregation. The target compounds were synthesized through multi-step organic synthesis reactions. From docking studies, compounds 7b, 7g and 7i displayed better interaction with the key residues of α-Syn with values: ?6.8, ?8.9 and ?7.2 Kcal/mol, respectively. In vivo transgenic C. elegans model of Synucleinopathy was used to evaluate the ability of the designed and synthesized compounds to inhibit α-Syn aggregation. These lead compounds 7b, 7g and 7i displayed 1.7, 2.4 and 1.5-fold inhibition of α-Syn with respect to the control. Further, the strategy of employing pyrazolo-pyridine-based compounds worked with success and these scaffolds could be further modified and validated for betterment of endpoints associated with PD.

PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS

The invention provides JAK kinase inhibitors of Formula Ia, enantiomers, diasteriomers or pharmaceutically acceptable salts thereof, wherein R1, R2, R7 and Z are defined herein, a pharmaceutical composition that includes a compound of Formula Ia and a pharmaceutically acceptable carrier, adjuvant or vehicle, and methods of treating or lessening the severity of a disease or condition responsive to the inhibition of a JAK kinase activity in a patient.

Nonaqueous Diazotation of 5-Amino-1-aryl-1H-pyrazole-4-carboxylate Esters

5-Amino-1-aryl-1H-pyrazole-4-carboxylate esters are converted to the corresponding desamino, chloro, bromo, iodo, and methylthio esters by processes involving nonaqueous diazotation.Diazotizing agents are alkyl nitrites except in the case of chlorine wher