300-87-8
- Product Name：3,5-Dimethylisoxazole
- Molecular Formula：C5H7NO
- Purity：99%
- Molecular Weight：97.1167
Product Details
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- Molecular Formula:C5H7NO
- Molecular Weight:97.1167
- Appearance/Colour:clear colourless to pale yellow liquid
- Vapor Pressure:6.51mmHg at 25°C
- Melting Point:-14℃
- Refractive Index:n20/D 1.442(lit.)
- Boiling Point:144.1 °C at 760 mmHg
- PKA:-1.35±0.28(Predicted)
- Flash Point:31.1 °C
- PSA：26.03000
- Density:0.99 g/cm3
- LogP:1.29140
Chinese Factory Sells 3,5-Dimethylisoxazole, Buy High Quality 300-87-8 with Trustworthy and Reputable Manufacturer
| Description | 3,5-Dimethylisoxazole is a natural product found in Nicotiana tabacum. |
|
Application |
3,5-dimethylisoxazole is an organic intermediate used in the preparation of 4-(chloromethyl)-3,5-dimethylisoxazole. |
|
Preparation |
3,5-Dimethylisozole can be synthesized from acetylacetone and hydroxylamine hydrochloride in one step off ring. |
InChI:InChI=1/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3
300-87-8 Relevant articles
Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor
David Sperandio a, Vangelis Aktoudianakis a, Kerim Babaoglu d, Xiaowu Chen d, Kristyna Elbel a, Gregory Chin a, Britton Corkey a, Jinfa Du a, Bob Jiang a, Tetsuya Kobayashi a, Richard Mackman a, Ruben Martinez a, Hai Yang a, Jeff Zablocki a, Saritha Kusam b, Kim Jordan b, Heather Webb b, Jamie G. Bates b, Latesh Lad b, Michael Mish a…David G. Breckenridge b
, Bioorganic & Medicinal Chemistry Volume 27, Issue 3, 1 February 2019, Pages 457-469
The starting point for the medicinal chemistry campaign towards 42 was based on the 3,5-dimethylisoxazole aryl chemotype reported by Bamborough and Hewings.15 Multiple other chemotypes have been reported, however we were intrigued by the high lipophilic ligand efficacy, the structural simplicity and detailed knowledge on the inhibitor target binding interactions based on x-ray studies.16 Several other groups have reported other variations on this motif.
The reaction of 3, 5-dimethylisoxazole with carbonyl compounds.
C Kashima, M Uemori, Y Tsuda, Y Omote
Bulletin of the Chemical Society of Japan
The reaction product of 3,5-dimethylisoxazole (1) with methyl benzoate was found to be 3-… 3,5-Dimethylisoxazole (1) was treated with an equimolar amount of methyl benzoate in the …
Optimization of 3, 5-dimethylisoxazole derivatives as potent bromodomain ligands
David S. Hewings†‡, Oleg Fedorov‡, Panagis Filippakopoulos‡, Sarah Martin‡, Sarah Picaud‡, Anthony Tumber‡, Christopher Wells‡, Monica M. Olcina§, Katherine Freeman†, Andrew Gill∥, Alison J. Ritchie∥, David W. Sheppard∥, Angela J. Russell†, Ester M. Hammond§, Stefan Knapp‡, Paul E. Brennan‡, and Stuart J. Conway*†
, J. Med. Chem. 2013, 56, 8, 3217–3227
The bromodomain protein module, which binds to acetylated lysine, is emerging as an important epigenetic therapeutic target. We report the structure-guided optimization of 3,5-dimethylisoxazole derivatives to develop potent inhibitors of the BET (bromodomain and extra terminal domain) bromodomain family with good ligand efficiency. X-ray crystal structures of the most potent compounds reveal key interactions required for high affinity at BRD4(1).
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