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3-Oxetanecarboxaldehyde, 3-methyl-, also known as 3-Methyl-3-oxetanecarboxaldehyde, is a chemical compound with the molecular formula C5H8O2. It is a clear, colorless liquid characterized by a distinctive odor. 3-OXETANECARBOXALDEHYDE, 3-METHYLis primarily utilized in the synthesis of pharmaceuticals and organic compounds, serving as a reagent in organic synthesis and as a key intermediate in the creation of complex molecular structures within the pharmaceutical industry. Additionally, it plays a role in the synthesis of odorants and flavor compounds, making it a versatile and important chemical for a range of industrial applications. Due to its reactivity and potential hazards, it is handled with caution.

99419-31-5

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99419-31-5 Usage

Uses

Used in Pharmaceutical Industry:
3-Oxetanecarboxaldehyde, 3-methylis used as a reagent in organic synthesis for the production of various pharmaceuticals. It aids in creating complex molecular structures that are essential for the development of new drugs and medicines.
Used in Organic Synthesis:
In the field of organic synthesis, 3-Oxetanecarboxaldehyde, 3-methylis employed as a key intermediate. It contributes to the formation of a wide array of organic compounds, showcasing its versatility in chemical reactions.
Used in Flavor and Fragrance Industry:
3-Oxetanecarboxaldehyde, 3-methylis used as an intermediate in the synthesis of odorants and flavor compounds. Its role in this industry is crucial for developing new scents and tastes for various consumer products.
Used in Research and Development:
This chemical compound is also utilized in research and development settings, where it can be explored for potential new applications, further expanding its use across different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 99419-31-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,9,4,1 and 9 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 99419-31:
(7*9)+(6*9)+(5*4)+(4*1)+(3*9)+(2*3)+(1*1)=175
175 % 10 = 5
So 99419-31-5 is a valid CAS Registry Number.

99419-31-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Methyl-oxetane-3-carbaldehyde

1.2 Other means of identification

Product number -
Other names 3-methyloxetane-3-carbaldehyde

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:99419-31-5 SDS

99419-31-5Relevant academic research and scientific papers

Identification of a novel ligand for the ATAD2 bromodomain with selectivity over BRD4 through a fragment growing approach

Miller, Duncan C.,Martin, Mathew P.,Adhikari, Santosh,Brennan, Alfie,Endicott, Jane A.,Golding, Bernard T.,Hardcastle, Ian R.,Heptinstall, Amy,Hobson, Stephen,Jennings, Claire,Molyneux, Lauren,Ng, Yvonne,Wedge, Stephen R.,Noble, Martin E. M.,Cano, Celine

, p. 1843 - 1850 (2018)

ATAD2 is an ATPase that is overexpressed in a variety of cancers and associated with a poor patient prognosis. This protein has been suggested to function as a cofactor for a range of transcription factors, including the proto-oncogene MYC and the androgen receptor. ATAD2 comprises an ATPase domain, implicated in chromatin remodelling, and a bromodomain which allows it to interact with acetylated histone tails. Dissection of the functional roles of these two domains would benefit from the availability of selective, cell-permeable pharmacological probes. An in silico evaluation of the 3D structures of various bromodomains suggested that developing small molecule ligands for the bromodomain of ATAD2 is likely to be challenging, although recent reports have shown that ATAD2 bromodomain ligands can be identified. We report a structure-guided fragment-based approach to identify lead compounds for ATAD2 bromodomain inhibitor development. Our findings indicate that the ATAD2 bromodomain can accommodate fragment hits (Mr 200) that yield productive structure-activity relationships, and structure-guided design enabled the introduction of selectivity over BRD4.

Selective Palladium(II)-Catalyzed Carbonylation of Methylene β-C?H Bonds in Aliphatic Amines

Cabrera-Pardo, Jaime R.,Trowbridge, Aaron,Nappi, Manuel,Ozaki, Kyohei,Gaunt, Matthew J.

supporting information, p. 11958 - 11962 (2017/09/20)

Palladium(II)-catalyzed C?H carbonylation reactions of methylene C?H bonds in secondary aliphatic amines lead to the formation of trans-disubstituted β-lactams in excellent yields and selectivities. The generality of the C?H carbonylation process is aided by the action of xantphos-based ligands and is important in securing good yields for the β-lactam products.

Substituted Oxopyridine Derivatives and Use Thereof in the Treatment of Cardiovascular Disorders

-

Paragraph 1730-1732, (2016/05/02)

The invention relates to substituted oxopyridine derivatives and to processes for their preparation, and also to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular cardiovascular disorders, preferably thrombotic or thromboembolic disorders, and oedemas, and also ophthalmic disorders.

THERAPEUTIC COMPOUNDS AND USES THEREOF

-

Page/Page column 90, (2016/08/23)

The present invention relates to compounds of formula (I): and to salts thereof, wherein R1-R6 have any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of TAF1. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various TAF1-mediated disorders.

SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS

-

Paragraph 2532-2535, (2016/10/07)

The invention relates to substituted oxopyridine derivatives and to processes for their preparation, and also to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular cardiovascular disorders, preferably thrombotic or thromboembolic disorders, and oedemas, and also ophthalmic disorders.

DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES

-

Paragraph 0363; 0365, (2014/10/29)

Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds are disclosed that are represented by general formula (I). Also disclosed, are pharmaceutical compositions including these compounds and methods of using these compounds and compositions for the

Inhibitors of β-site amyloid precursor protein cleaving enzyme (BACE1): Identification of (S)-7-(2-fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-5′ H -spiro[chromeno[2,3- b ]pyridine-5,4′-oxazol]-2′-amine (AMG-8718)

Dineen, Thomas A.,Chen, Kui,Cheng, Alan C.,Derakhchan, Katayoun,Epstein, Oleg,Esmay, Joel,Hickman, Dean,Kreiman, Chuck E.,Marx, Isaac E.,Wahl, Robert C.,Wen, Paul H.,Weiss, Matthew M.,Whittington, Douglas A.,Wood, Stephen,Fremeau, Robert T.,White, Ryan D.,Patel, Vinod F.

, p. 9811 - 9831 (2015/02/05)

We have previously shown that the aminooxazoline xanthene scaffold can generate potent and orally efficacious BACE1 inhibitors although certain of these compounds exhibited potential hERG liabilities. In this article, we describe 4-aza substitution on the xanthene core as a means to increase BACE1 potency while reducing hERG binding affinity. Further optimization of the P3 and P2′ side chains resulted in the identification of 42 (AMG-8718), a compound with a balanced profile of BACE1 potency, hERG binding affinity, and Pgp recognition. This compound produced robust and sustained reductions of CSF and brain Aβ levels in a rat pharmacodynamic model and exhibited significantly reduced potential for QTc elongation in a cardiovascular safety model.

IMIDAZOPYRAZINE SYK INHIBITORS

-

Paragraph 0283, (2014/01/08)

Certain imidazopyrazines and pharmaceutical compositions thereof are provided herein. Methods of treating patients suf-fering from certain diseases and disorders responsive to the inhibition of Syk activity, which comprises administering to such patients an amount of an imidazopyrazine compound effective to reduce signs or symptoms of the disease or dis-order are provided.

OXAZOLO [5, 4 -B] PYRIDIN- 5 -YL COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER

-

Page/Page column 19-20, (2012/06/16)

The present invention provides oxazolo[5,4-b]pyridin-5-yl compounds useful in the treatment of cancer.

TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION

-

Page/Page column 123-124, (2012/04/17)

Tetracyclic indole derivatives of formula (I), pharmaceutically acceptable salts and the pharmaceutical compositions thereof are provided, wherein A, A', G, R1, R15, U, V, V, W, W, X, X', Y, Y' are as defined in the invention. Use of these derivatives for treating hepatitis C virus (HCV) infection is also provided.

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