1188911-74-1

Basic information

• Product Name: 5-(1,1,1-Trifluoro-2-methylpropan-2-yl)isoxazol-3-amine
• Synonyms: 5-(1,1,1-Trifluoro-2-methylpropan-2-yl)isoxazol-3-amine
• CAS NO: 1188911-74-1
• Molecular Formula: C₇H₉F₃N₂O
• Molecular Weight: 194.16
• EINECS: -0
• Mol File: 1188911-74-1.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 229.7±40.0 °C(Predicted)
• Appearance: /
• Density: 1.287±0.06 g/cm3(Predicted)
• PKA: 1.78±0.10(Predicted)
• CAS DataBase Reference: 5-(1,1,1-Trifluoro-2-methylpropan-2-yl)isoxazol-3-amine(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(1,1,1-Trifluoro-2-methylpropan-2-yl)isoxazol-3-amine(1188911-74-1)
• EPA Substance Registry System: 5-(1,1,1-Trifluoro-2-methylpropan-2-yl)isoxazol-3-amine(1188911-74-1)

Safety Data

• Hazardous Substances Data: 1188911-74-1(Hazardous Substances Data)

Usage

General Description

5-(1,1,1-Trifluoro-2-methylpropan-2-yl)isoxazol-3-amine is a chemical compound with the molecular formula C7H10F3N3O. It is a derivative of isoxazole and contains a trifluoromethyl group and an isopropyl group. 5-(1,1,1-Trifluoro-2-methylpropan-2-yl)isoxazol-3-amine has potential applications in medicinal chemistry and drug discovery due to its structural features, which may allow for interactions with biological targets such as enzymes or receptors. It may also have potential uses as a building block in the synthesis of other organic compounds. Further research is necessary to fully understand the properties and potential uses of 5-(1,1,1-Trifluoro-2-methylpropan-2-yl)isoxazol-3-amine.

Upstream product

• 1188911-73-0 5,5,5-trifluoro-4,4-dimethyl-3-oxopentane nitrile 
• 1188911-72-9 methyl 3,3,3-trifluoro-2,2-dimethylpropanoate 
• 889940-13-0 3,3,3-trifluoro-2,2-dimethylpropanoic acid 

Downstream Products

• 1188910-76-0 CEP-32496 
• 1267850-54-3 5-(4-(2-oxo-2-(5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-ylamino)ethyl)phenyl)pyridin-2-amine 
• 1267856-03-0 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-N-(5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)acetamide 
• 1627856-64-7 2-(4-(4-ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fluorophenyl)-N-(5-(1,1,1- trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)acetamide 
• 1188911-77-4 phenyl (5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)carbamate 

Relevant articles and documents

Discovery of a First-in-Class Gut-Restricted RET Kinase Inhibitor as a Clinical Candidate for the Treatment of IBS

Abdominal pain and abnormal bowel habits represent major symptoms for irritable bowel syndrome (IBS) patients that are not adequately managed. Although the etiology of IBS is not completely understood, many of the functions of the gastrointestinal (GI) tract are regulated by the enteric nervous system (ENS). Inflammation or stress-induced expression of growth factors or cytokines may lead to hyperinnervation of visceral afferent neurons in GI tract and contribute to the pathophysiology of IBS. Rearranged during transfection (RET) is a neuronal growth factor receptor tyrosine kinase critical for the development of the ENS as exemplified by Hirschsprung patients who carry RET loss-of-function mutations and lack normal colonic innervation leading to colonic obstruction. Similarly, RET signaling in the adult ENS maintains neuronal function by contributing to synaptic formation, signal transmission, and neuronal plasticity. Inhibition of RET in the ENS represents a novel therapeutic strategy for the normalization of neuronal function and the symptoms of IBS patients. Herein, we describe our screening effort and subsequent structure-activity relationships (SARs) in optimizing potency, selectivity, and mutagenicity of the series, which led to the discovery of a first-in-class, gut-restricted RET kinase inhibitor, 2-(4-(4-ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fluorophenyl)-N-(5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)acetamide (15, GSK3179106), as a clinical candidate for the treatment of IBS. GSK3179106 is a potent, selective, and gut-restricted pyridone hinge binder small molecule RET kinase inhibitor with a RET IC50 of 0.3 nM and is efficacious in vivo.

CRYSTALLINE FORMS OF 2-(4-(4-ETHOXY-6-OXO-1,6-DIHYDROPYRIDIN-3-YL)-2-FLUOROPHENYL)-N-(5-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)ISOXAZOL-3-YL)ACETAMIDE

Disclosed are novel crystalline forms of 2-(4-(4-ethoxy-6-oxo-1,6-dihydropyridin- 3-yl)-2-fluorophenyl)-N-(5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)acetamide and pharmaceutical compositions containing the same. Also disclosed are processes for the preparation thereof and methods for use thereof.

SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF

Provided herein are novel substituted urea derivatives, and pharmaceutical compositions thereof. Also provided herein are uses of the compounds or pharmaceutical compositions thereof for preventing, managing, treating or lessening a proliferative disease, andmodulating the activity of protein kinase.