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ETHYL 5-TERT-BUTYLISOXAZOLE-3-CARBOXYLATE is a chemical compound with the molecular formula C11H17NO3. It is a white to off-white solid with a melting point of 29-32°C. This tert-butyl ester derivative of 5-isoxazolecarboxylic acid is commonly used in the synthesis of pharmaceuticals and agrochemicals, serving as a building block or intermediate in organic synthesis. It is known for its role in the preparation of potential drug candidates and bioactive compounds, and may also be utilized in research and development applications within the chemical and pharmaceutical industries as a starting material for the creation of new molecules with diverse biological activities.

91252-54-9

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91252-54-9 Usage

Uses

Used in Pharmaceutical Industry:
ETHYL 5-TERT-BUTYLISOXAZOLE-3-CARBOXYLATE is used as a building block or intermediate for the synthesis of pharmaceuticals, contributing to the development of potential drug candidates and bioactive compounds.
Used in Agrochemical Industry:
ETHYL 5-TERT-BUTYLISOXAZOLE-3-CARBOXYLATE is used as a building block or intermediate for the synthesis of agrochemicals, aiding in the creation of effective and innovative products for agricultural applications.
Used in Research and Development:
ETHYL 5-TERT-BUTYLISOXAZOLE-3-CARBOXYLATE is used as a starting material in research and development applications within the chemical and pharmaceutical industries, enabling the creation of new molecules with diverse biological activities.

Check Digit Verification of cas no

The CAS Registry Mumber 91252-54-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,1,2,5 and 2 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 91252-54:
(7*9)+(6*1)+(5*2)+(4*5)+(3*2)+(2*5)+(1*4)=119
119 % 10 = 9
So 91252-54-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H15NO3/c1-5-13-9(12)7-6-8(14-11-7)10(2,3)4/h6H,5H2,1-4H3

91252-54-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 5-tert-butyl-1,2-oxazole-3-carboxylate

1.2 Other means of identification

Product number -
Other names ethyl 5-tert-butylisoxazole-3-carboxylate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:91252-54-9 SDS

91252-54-9Relevant academic research and scientific papers

BTK INHIBITORS

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Page/Page column 229, (2022/02/15)

Provided are compounds of Formula (I): or pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, R5, R7, R8, R9, A1, A2, Q1, Q2, Q3, A, Z, m and n are as defined herein; pharmaceutical compositions comprising said compounds or pharmaceutically acceptable salts thereof, and pharmaceutically acceptable excipients; and methods of treating a disorder responsive to inhibition of Bruton's tyrosine kinase using said compounds, or pharmaceutically acceptable salts thereof, or said pharmaceutical compositions.

METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION

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Paragraph 01173, (2021/11/20)

Mutations in oncogenes and tumor suppressors contribute to the development and progression of cancer. The present disclosure describes compounds and methods to recover wild-type function to p53 mutants. The compounds of the present disclosure can bind to mutant p53 and restore the ability of the p53 mutant to bind DNA and activate downstream effectors involved in tumor suppression. The disclosed compounds can be used to reduce the progression of cancers that contain a p53 mutation.

Development of a continuous flow photoisomerization reaction converting isoxazoles into diverse oxazole products

Bracken, Cormac,Baumann, Marcus

, p. 2607 - 2617 (2020/03/11)

A continuous flow process is presented, which directly converts isoxazoles into their oxazole counterparts via a photochemical transposition reaction. This results in the first reported exploitation of this transformation to establish its scope and synthe

Structure-Activity Relationship Studies of Substituted 2-(Isoxazol-3-yl)-2-oxo-N′-phenyl-acetohydrazonoyl Cyanide Analogues: Identification of Potent Exchange Proteins Directly Activated by cAMP (EPAC) Antagonists

Ye, Na,Zhu, Yingmin,Chen, Haijun,Liu, Zhiqing,Mei, Fang C.,Wild, Christopher,Chen, Haiying,Cheng, Xiaodong,Zhou, Jia

, p. 6033 - 6047 (2015/08/24)

Exchange proteins directly activated by cAMP (EPAC) as guanine nucleotide exchange factors mediate the effects of the pivotal second messenger cAMP, thereby regulating a wide variety of intracellular physiological and pathophysiological processes. A series of novel 2-(isoxazol-3-yl)-2-oxo-N′-phenyl-acetohydrazonoyl cyanide EPAC antagonists was synthesized and evaluated in an effort to optimize properties of the previously identified high-throughput (HTS) hit 1 (ESI-09). Structure-activity relationship (SAR) analysis led to the discovery of several more active EPAC antagonists (e.g., 22 (HJC0726), 35 (NY0123), and 47 (NY0173)) with low micromolar inhibitory activity. These inhibitors may serve as valuable pharmacological probes to facilitate our efforts in elucidating the biological functions of EPAC and developing potential novel therapeutics against human diseases. Our SAR results have also revealed that further modification at the 3-, 4-, and 5-positions of the phenyl ring as well as the 5-position of the isoxazole moiety may allow for the development of more potent EPAC antagonists.

Efficient synthesis of ESI-09, a novel non-cyclic nucleotide EPAC antagonist

Chen, Haijun,Ding, Chunyong,Wild, Christopher,Liu, Huiling,Wang, Tianzhi,White, Mark A.,Cheng, Xiaodong,Zhou, Jia

, p. 1546 - 1549 (2013/03/14)

A concise and efficient synthetic approach to producing a novel non-cyclic nucleotide EPAC antagonist ESI-09 and its new analogs is reported. Key features of the synthesis include a mild and reliable one-pot procedure for an isoxazole synthon, as well as a modified one-pot protocol for the cyanomethyl ketone key intermediate. The synthesis requires inexpensive starting materials and only three linear steps for the completion in a total yield of 53%.

Sulfone compounds which modulate the CB2 receptor

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Page/Page column 24, (2012/03/08)

Compounds which modulate the CB2 receptor are disclosed. Compounds according to the invention bind to and are agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating p

SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR

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Page/Page column 37, (2009/12/23)

Compounds which modulate the CB2 receptor are disclosed. Compounds according to the invention bind to and are agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating p

Analogs of 4-hydroxyisoleucine and uses thereof

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Page/Page column 45, (2008/06/13)

The invention relates to analogs of 4-hydroxyisoleucine, and to lactones, pharmaceutically acceptable salts, and prodrugs thereof, to processes for their preparation, and to pharmaceutical compositions comprising the same. The analogs of the invention stimulate both glucose uptake and insulin secretion, and may thus be useful for the prevention and treatment of disorders of carbohydrate or lipid metabolism, including diabetes mellitus (type 1 and type 2 diabetes), pre-diabetes, and Metabolic Syndrome.

Compounds and compositions for use in the prevention and treatment of obesity and related syndromes

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Page/Page column 57-58, (2010/11/24)

The invention relates to 4-hydroxyisoleucine, isomers, analogs, lactones, salts, and prodrugs thereof, to processes for their preparation, and to pharmaceutical compositions comprising the same. More particularly, the invention relates to the use of those compounds in the prevention and treatment of obesity and related syndromes.

MALONONITRILE COMPOUND AS PESTICIDES

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Page/Page column 180-181, (2008/06/13)

The present invention provides a malononitrile compound represented by the formula (I): wherein any one of X1, X2, X3 and X4 is CR100, wherein R100 is a group represented by the formula: the other three of X1, X2, X3 and X4 each represent nitrogen or CR5, provided that 1 to 3 of X1, X2, X3 and X4 represent nitrogen, and Z represents oxygen, sulfur or NR6, which has pest-controlling activity.

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