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1,3-Piperidinedicarboxylic acid, 3-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester is an ester compound characterized by its molecular formula C12H21NO4. It is a versatile chemical entity that plays a significant role in the pharmaceutical industry, serving as a precursor in the synthesis of a variety of drugs and as a building block in organic synthesis. Its unique chemical structure and potential applications in treating neurological disorders, cardiovascular diseases, and as an anti-inflammatory agent make it a valuable compound for medicinal chemistry research and drug development.

888952-55-4

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888952-55-4 Usage

Uses

Used in Pharmaceutical Industry:
1,3-Piperidinedicarboxylic acid, 3-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester is used as a precursor in the synthesis of various drugs for its ability to be chemically modified and incorporated into complex molecular structures.
Used in Neurological Disorders Treatment:
In the field of neurology, 1,3-Piperidinedicarboxylic acid, 3-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester is used as a potential therapeutic agent for neurological disorders due to its capacity to interact with specific biological targets and pathways involved in these conditions.
Used in Cardiovascular Disease Management:
1,3-Piperidinedicarboxylic acid, 3-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester is utilized in the development of treatments for cardiovascular diseases, leveraging its potential to influence physiological processes related to heart and vascular health.
Used as an Anti-Inflammatory Agent:
This ester compound is applied as an anti-inflammatory agent, capitalizing on its properties to modulate inflammatory responses and alleviate symptoms associated with inflammation.
Used in Drug Delivery Systems Development:
1,3-Piperidinedicarboxylic acid, 3-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester is studied for its potential use in the development of novel drug delivery systems, aiming to enhance the efficacy and targeted delivery of therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 888952-55-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,8,8,9,5 and 2 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 888952-55:
(8*8)+(7*8)+(6*8)+(5*9)+(4*5)+(3*2)+(2*5)+(1*5)=254
254 % 10 = 4
So 888952-55-4 is a valid CAS Registry Number.
InChI:InChI=1/C13H23NO4/c1-12(2,3)18-11(16)14-8-6-7-13(4,9-14)10(15)17-5/h6-9H2,1-5H3

888952-55-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-O-tert-butyl 3-O-methyl 3-methylpiperidine-1,3-dicarboxylate

1.2 Other means of identification

Product number -
Other names 1-tert-Butyl 3-methyl 3-methylpiperidine-1,3-dicarboxylate

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:888952-55-4 SDS

888952-55-4Relevant academic research and scientific papers

Design and Synthesis of 56 Shape-Diverse 3D Fragments

Atobe, Masakazu,Blakemore, David C.,Bond, Paul S.,Chan, Ngai S.,De Fusco, Claudia,Downes, Thomas D.,Firth, James D.,Hubbard, Roderick E.,Jones, S. Paul,Klein, Hanna F.,O'Brien, Peter,Roughley, Stephen D.,Vidler, Lewis R.,Waddelove, Laura,Whatton, Maria Ann,Wheldon, Mary C.,Woolford, Alison J.-A.,Wrigley, Gail L.

, (2020/07/13)

Fragment-based drug discovery is now widely adopted for lead generation in the pharmaceutical industry. However, fragment screening collections are often predominantly populated with flat, 2D molecules. Herein, we describe a workflow for the design and synthesis of 56 3D disubstituted pyrrolidine and piperidine fragments that occupy under-represented areas of fragment space (as demonstrated by a principal moments of inertia (PMI) analysis). A key, and unique, underpinning design feature of this fragment collection is that assessment of fragment shape and conformational diversity (by considering conformations up to 1.5 kcal mol?1 above the energy of the global minimum energy conformer) is carried out prior to synthesis and is also used to select targets for synthesis. The 3D fragments were designed to contain suitable synthetic handles for future fragment elaboration. Finally, by comparing our 3D fragments with six commercial libraries, it is clear that our collection has high three-dimensionality and shape diversity.

[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS PDE2 INHIBITORS

-

, (2018/05/24)

The present invention relates to novel [1,2,4]triazolo[1,5-a]pyrimidin-yl derivatives as inhibitors of phosphodiesterase 2 (PDE2). The invention is also directed to pharmaceutical compositions comprising the compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which PDE2 is involved, such as neurological and psychiatric disorders.

Identification of novel TACE inhibitors compatible with topical application

Ouvry, Gilles,Berton, Ya?l,Bhurruth-Alcor, Yushma,Bonnary, Laetitia,Bouix-Peter, Claire,Bouquet, Karine,Bourotte, Marilyne,Chambon, Sandrine,Comino, Catherine,Deprez, Beno?t,Duvert, Denis,Duvert, Gwena?lle,Hacini-Rachinel, Feriel,Harris, Craig S.,Luzy, Anne-Pascale,Mathieu, Arnaud,Millois, Corinne,Pascau, Jonathan,Pinto, Artur,Polge, Ga?lle,Reitz, Arnaud,Reversé, Kevin,Rosignoli, Carine,Taquet, Nathalie,Hennequin, Laurent F.

, p. 1848 - 1853 (2017/04/04)

Targeting the Tumor Necrosis Factor α signalling with antibodies has led to a revolution in the treatment of psoriasis. Locally inhibiting Tumor Necrosis Factor α Converting Enzyme (TACE or ADAM17) could potentially mimic those effects and help treat mild to moderate psoriasis, without the reported side effect of systemic TACE inhibitors. Efforts to identify new TACE inhibitors are presented here. Enzymatic SAR as well as ADME and physico-chemistry data are presented. This study culminated in the identification of potent enzymatic inhibitors. Suboptimal cellular activity of this series is discussed in the context of previously published results.

SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS

-

Paragraph 0236, (2017/05/27)

There are provided inter alia multisubstituted aromatic compounds useful for the inhibition of thrombin and/or kallikrein, which compounds include substituted pyrazolyl. There are additionally provided pharmaceutical compositions. There are additionally provided methods of treating and preventing certain diseases or disorders, which diseases or disorders are amenable to treatment or prevention by the inhibition of thrombin and/or kallikrein.

BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS

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Page/Page column 66; 67, (2016/07/27)

Provided are Bruton's Tyrosine Kinase (Btk) inhibitor compounds according to Formula I, pharmaceutically acceptable salts thereof, pharmaceutical compositions thereof, or their use in therapy.

PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYR-ROLO[2,3-D]PYRIDINYL ACRYLAMIDES

-

Paragraph 0486, (2015/06/17)

The present invention provides pharmaceutically active pyrrolo[2,3-d]pyrimidinyl and pyrrolo[2,3-d]pyridinyl acrylamides and analogues thereof. Such compounds are useful for inhibiting Janus Kinase (JAK). This invention also is directed to compositions comprising methods for making such compounds, and methods for treating and preventing conditions mediated by JAK.

Methods for inhibiting protein kinases

-

Page/Page column 157-158, (2010/11/26)

The present invention provides methods for inhibiting protein kinases selected from the group consisting of AKT, Checkpoint kinase, Aurora kinase, Pim kinases, and tyrosine kinase using pyrazolo[1,5-a]pyrimidine compounds and methods of treatment, prevent

Therapeutic pyrazolo[3,4-B]pyridines and indazoles

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Page/Page column 16, (2008/06/13)

The present invention provides for compounds of Formula I: wherein R2, R3, R4, R5, R6, R7, X, and L have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of central nervous disorders and conditions including attention deficit hyperactivity disorder, neuropathic pain, urinary incontinence, anxiety, depression, and schizophrenia and fibromyalgia. Also provided are pharmaceutical compositions comprising one or more compounds of Formula I.

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