664362-16-7

Basic information

• Product Name: 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester
• Synonyms: 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester;tert-Butyl 3-ethynylpiperidine-1-carboxylate;1-Boc-3-ethynylpiperidine;3-Ethynylpiperidine-1-carboxylic acid tert-butyl ester;3-Ethynyl-1-piperidinecarboxylicacid1,1-dimethylethylester
• CAS NO: 664362-16-7
• Molecular Formula: C₁₂H₁₉NO₂
• Molecular Weight: 209.287
• Mol File: 664362-16-7.mol

Chemical Properties

• Boiling Point: 269.583 °C at 760 mmHg
• Flash Point: 116.84 °C
• Appearance: /
• Density: 1.02
• Vapor Pressure: 0.007mmHg at 25°C
• Refractive Index: 1.491
• Storage Temp.: 2-8°C
• PKA: -2.37±0.40(Predicted)
• CAS DataBase Reference: 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester(664362-16-7)
• EPA Substance Registry System: 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester(664362-16-7)

Safety Data

• Hazardous Substances Data: 664362-16-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester is used as a key intermediate in the synthesis of various pharmaceuticals for its potential anti-cancer and anti-inflammatory properties. Its unique structure allows for the development of new drugs that can target specific biological pathways, offering novel therapeutic options for patients.
Used in Organic Synthesis:
In the field of organic synthesis, 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester is utilized as a versatile building block for the creation of complex organic molecules. Its reactivity and functional groups enable chemists to synthesize a wide range of compounds with diverse applications, including pharmaceuticals, agrochemicals, and materials science.
It is important to handle 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester with care, as it is a flammable and potentially hazardous chemical. Proper safety measures should be taken during its synthesis, storage, and use to minimize risks and ensure the safety of researchers and the environment.

InChI:InChI=1/C12H19NO2/c1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3

Upstream product

• 90965-06-3 dimethyl 1-(1-diazo-2-oxopropyl)phosphonate 
• 118156-93-7 3-formylpiperidine-1-carboxylic acid tert-butyl ester 
• 27491-70-9 dimethyl diazomethylphosphonate 
• 851882-50-3 3-(2,2-dibromo-vinyl)-piperidine-1-carboxylic acid tert-butyl ester 

Downstream Products

• 959918-19-5 3-ethynylpiperidine hydrochloride 
• 851882-51-4 3-(4-fluoro-phenylethynyl)-piperidine-1-carboxylic acid tert-butyl ester 
• 794533-54-3 3-ethynylpiperidine 

Relevant articles and documents

Discovery of a Candidate Containing an (S)-3,3-Difluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydro-1 H-inden Scaffold as a Highly Potent Pan-Inhibitor of the BCR-ABL Kinase including the T315I-Resistant Mutant for the Treatment of Chronic Myeloid Leukemia

BCR-ABL kinase inhibition is an effective strategy for the treatment of chronic myeloid leukemia (CML). Herein, we report compound 3a-P1, bearing a difluoro-indene scaffold, as a novel potent pan-inhibitor against BCR-ABL mutants, including the most refractory T315I mutant. As the privileged (S)-isomer compared to its (R)-isomer 3a-P2, 3a-P1 exhibited potent antiproliferative activities against K562 and Ku812 CML cells and BCR-ABL and BCR-ABLT315I BaF3 cells, with IC50 values of 0.4, 0.1, 2.1, and 4.7 nM, respectively. 3a-P1 displayed a good safety profile in a battery of assays, including single-dose toxicity, hERG K+, and genotoxicity. It also showed favorable mice pharmacokinetic properties with a good oral bioavailability (32%), a reasonable half-life (4.61 h), and a high exposure (1386 h·ng/mL). Importantly, 3a-P1 demonstrated a higher potency than ponatinib in a mice xenograft model of BaF3 harboring BCR-ABLT315I. Overall, the results indicate that 3a-P1 is a promising drug candidate for the treatment of CML to overcome the imatinib-resistant T315I BCR-ABL mutation.

BICYCLIC OGA INHIBITOR COMPOUNDS

The present invention relates to O-GlcNAc hydrolase (OGA) inhibitors. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and

Development of a selective activity-based probe for glycosylated LIPA

Loss of LIPA activity leads to diseases such as Wolman's Disease and Cholesterol Ester Storage Disease. While it is possible to measure defects in LIPA protein levels, it is difficult to directly measure LIPA activity in cells. In order to measure LIPA activity directly we developed a LIPA specific activity based probe. LIPA is heavily glycosylated although it is unclear how glycosylation affects LIPA activity or function. Our probe is specific for a glycosylated form of LIPA in cells, although it labels purified LIPA regardless of glycosylation.

Protein Kinase Inhibitors

The present invention relates to compounds of Formula I: as well as pharmaceutically acceptable salts, hydrates, isomers, or solvates thereof, wherein the variables are described herein. The present invention further relates to pharmaceutical compositions which comprise the compounds of Formula I, and to methods for inhibiting protein kinase and methods of treating diseases, such as cancers, inflammation.

PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS

Disclosed are compounds of Formula (IIa), wherein R1, R2, R3A, R3B, R3C, R3D, R3E, and R4 are as defined in the specification, and pharmaceutically acceptable salts thereof. The compounds may be used as agents in the treatment of diseases, including cancer. Also provided are pharmaceutical compositions comprising one or more compounds of Formula (IIa)

FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS

A series of 5,6-dihydro-1-benzothiophen-7(4H)-one derivatives, and analogues thereof, which are substituted in the 2-position by an optionally substituted morpholin-4-yl moiety, being selective inhibitors of PI3 kinase enzymes, are accordingly of benefit in medicine, for example in the treatment of inflammatory, autoimmune, cardiovascular, neurodegenerative, metabolic, oncological, nociceptive or ophthalmic conditions.

ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS

The present invention relates to new compounds of formula (I) wherein A, B, P, Q, W, Rl and R2 are defined in the description; invention compounds are useful in the prevention or treatment of central nervous system disorders as well as other disorders modulated by mGluR5 receptors.

Sulfone derivatives as 5-HT7 receptor ligands

The present invention relates to sulfone derivatives of formula (I): Ar—SO2—CR2R3-L-N(R1)2??I wherein Ar, L, R1, R2 and R3 are as defined herein, and pharmaceutically