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(1-Boc-piperidin-4-yl)acetonitrile is a chemical compound that features a piperidine ring with a tert-butoxycarbonyl (Boc) protecting group at the 1 position and an acetonitrile group at the 4 position. (1-Boc-piperidin-4-yl)acetonitrile is recognized for its role as a building block in organic synthesis, especially in the creation of pharmaceuticals and agrochemicals. The Boc group serves to control reactivity and selectivity in chemical reactions, while the acetonitrile group is a versatile functional group that can engage in numerous synthetic transformations. Additionally, (1-Boc-piperidin-4-yl)acetonitrile may exhibit biological activity, which makes it a promising candidate in drug discovery and development. It stands as a valuable and versatile compound within the realm of organic chemistry, suitable for a variety of applications.

256411-39-9

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256411-39-9 Usage

Uses

Used in Pharmaceutical Synthesis:
(1-Boc-piperidin-4-yl)acetonitrile is used as a key intermediate in the synthesis of various pharmaceuticals due to its ability to be selectively modified and incorporated into complex molecular structures. The Boc protecting group allows for controlled reactions, ensuring the desired product is obtained without unwanted side reactions.
Used in Agrochemical Development:
In the agrochemical industry, (1-Boc-piperidin-4-yl)acetonitrile is utilized as a precursor in the development of new pesticides and other agrochemicals. Its versatility in synthesis allows for the creation of compounds with specific target activities, contributing to more effective and selective crop protection agents.
Used in Organic Chemistry Research:
(1-Boc-piperidin-4-yl)acetonitrile serves as a model compound in organic chemistry research, where its reactivity and synthetic utility are studied to develop new synthetic methods and understand reaction mechanisms. This knowledge can be applied to the design of more efficient synthetic routes for a wide range of organic compounds.
Used in Drug Discovery:
Due to its potential biological activity, (1-Boc-piperidin-4-yl)acetonitrile is used in drug discovery as a starting point for the development of new therapeutic agents. Its structural features can be optimized to target specific biological pathways or receptors, potentially leading to the creation of novel medications.
Overall, (1-Boc-piperidin-4-yl)acetonitrile is a multifaceted compound with applications spanning across various industries, from pharmaceuticals to agrochemicals, and holds promise in advancing the field of organic chemistry and drug development.

Check Digit Verification of cas no

The CAS Registry Mumber 256411-39-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,5,6,4,1 and 1 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 256411-39:
(8*2)+(7*5)+(6*6)+(5*4)+(4*1)+(3*1)+(2*3)+(1*9)=129
129 % 10 = 9
So 256411-39-9 is a valid CAS Registry Number.
InChI:InChI=1/C12H20N2O2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h10H,4-6,8-9H2,1-3H3

256411-39-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate

1.2 Other means of identification

Product number -
Other names 1-Boc-3-Cyanomethylpiperidine

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:256411-39-9 SDS

256411-39-9Downstream Products

256411-39-9Relevant academic research and scientific papers

SUBSTITUTED 1H-IMIDAZO[1, 2-B]PYRAZOLE-3-CARBOXAMIDE AS BRUTON TYROSINE KINASE INHIBITORS

-

, (2022/01/24)

This invention relates to a series of compounds 1H-imidazo [1, 2-b] pyrazole-3-carboxamide substituted represented by formula I used as kinase inhibitors, in particular BTK inhibitors (Bruton tyrosine kinase), and the methods of manufacture and use thereof for the treatment of an autoimmune disease, inflammatory disease, cancer and potentially allergies.

BROAD SPECTRUM ANTI-CANCER COMPOUNDS

-

, (2021/04/23)

Described herein, inter alia, are compounds for treating cancer and methods of use. This disclosure features chemical entities (e.g., small hairpin RNAs (shRNAs), micro RNA (miRNAs), small interfering RNA (siRNAs), small molecule inhibitors, antisense nucleic acids, peptides, viruses, CRISPR-sgRNAs, or combinations thereof) that inhibit one or more of m6A writers (e.g., methyltransferase like 3 (Mettl3 or MT-A70) or methyltransferase like-14 (Mettl14)), m6Am writers (e.g., phosphorylated CTD interacting factor I (PCIF 1), or Mettl3/14), m6A erasers (e.g., fat-mass and obesity-associated protein (FTO) or ALKB homolog 5 (ALKBH5)), m6Am erasers (e.g., FTO), m6A readers (e.g., YTH domain-containing family proteins (YTHs)), YTF domain family member 1 (YTHDF 1), YTF domain family member 2 (YTHDF 2), YTF domain family member 3 (YTHDF 3), or tyrosine-protein phosphatase non-receptor type 2 (PTPN2).

Transformation of aldehydes into nitriles in an aqueous medium using O-phenylhydroxylamine as the nitrogen source

Cheewawisuttichai, Thamrongsak,Hurst, Robert D.,Brichacek, Matthew

, (2021/03/24)

The conversion of an aldehyde into a nitrile can be efficiently performed using O-phenylhydroxylamine hydrochloride in buffered aqueous solutions. The reported method is specifically optimized for aqueous-soluble substrates including carbohydrates. Several reducing sugars including monosaccharides, disaccharides, and silyl-protected saccharides were transformed into cyanohydrins in high yields. The reaction conditions are also suitable for the formation of nitriles from various types of hydrophobic aldehyde substrates. Furthermore, cyanide can be eliminated from cyanohydrins, analogous to the Wohl degradation, by utilizing a readily-removed weakly basic resin as a promoter.

Structure-activity relationship investigation for imidazopyrazole-3-carboxamide derivatives as novel selective inhibitors of Bruton's tyrosine kinase

Ding, Qingjie,He, Xing,Jiang, Yuqin,Li, Wei,Ma, Chunhua,Wang, Yue,Wu, Xiaofang,Xu, Guiqing,Yang, Shouning,Zhang, Dandan,Zhang, Shuting,Zhao, Jie

, (2021/08/13)

BTK (Bruton's tyrosine kinase) inhibitors are the most promising drugs for the treatment of hematological tumors. A high selectivity of BTK inhibitors ensures reduced side effects from off-targeting. Accordingly, here, based on Zanubrutinib, we designed a

Structure-activity relationship study of tryptophan-based butyrylcholinesterase inhibitors

Brazzolotto, Xavier,Gobec, Stanislav,Gro?elj, Uro?,Knez, Damijan,Malikowska-Racia, Natalia,Meden, An?e,Nachon, Florian,Sa?at, Kinga,Svete, Jurij

, (2020/09/15)

A series of tryptophan-based selective nanomolar butyrylcholinesterase (BChE) inhibitors was designed and synthesized. Compounds were optimized in terms of potency, selectivity, and synthetic accessibility. The crystal structure of the inhibitor 18 in complex with BChE revealed the molecular basis for its low nanomolar inhibition (IC50 = 2.8 nM). The favourable in vitro results enabled a first-in-animal in vivo efficacy and safety trial, which demonstrated a positive impact on fear-motivated and spatial long-term memory retrieval without any concomitant adverse motor effects. Altogether, this research culminated in a handful of new lead compounds with promising potential for symptomatic treatment of patients with Alzheimer's disease.

Radical cyanomethylation via vinyl azide cascade-fragmentation

Donald, James R.,Berrell, Sophie L.

, p. 5832 - 5836 (2019/06/17)

Herein, a novel methodology for radical cyanomethylation is described. The process is initiated by radical addition to the vinyl azide reagent 3-azido-2-methylbut-3-en-2-ol which triggers a cascade-fragmentation mechanism driven by the loss of dinitrogen and the stabilised 2-hydroxypropyl radical, ultimately effecting cyanomethylation. Cyanomethyl groups can be efficiently introduced into a range of substrates via trapping of α-carbonyl, heterobenzylic, alkyl, sulfonyl and aryl radicals, generated from a variety of functional groups under both photoredox catalysis and non-catalytic conditions. The value of this approach is exemplified by the late-stage cyanomethylation of pharmaceuticals.

Optimization of a novel series of potent and orally bioavailable GPR119 agonists

Koshizawa, Tomoaki,Morimoto, Toshiharu,Watanabe, Gen,Watanabe, Toshiaki,Yamasaki, Nao,Sawada, Yoshikazu,Fukuda, Tomoaki,Okuda, Ayumu,Shibuya, Kimiyuki,Ohgiya, Tadaaki

supporting information, p. 3249 - 3253 (2017/07/07)

We describe the discovery and optimization of a novel series of furo[3,2-d]pyrimidines as G protein-coupled receptor 119 agonists. Agonistic activity of 4 (EC50?=?129?nM) was improved by replacing the intramolecular hydrogen bond between the fluorine atom and the aniline hydrogen in the head moiety with a covalent C-C bond to enhance conformational restriction, which consequently gave a lead compound 12 (EC50?=?53?nM). Optimized compound 26, which was identified by the further optimization of 12, exhibited potent activity (EC50?=?42?nM) with improved clearance in liver microsomes and induced a 33% reduction in blood glucose area under the curve at a dose of 10?mg/kg in an oral glucose tolerance test in C57BL/6N mice.

ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS

-

Paragraph 0257, (2017/02/28)

Disclosed is a series of analogues of 4H-pyrazolo[1,5-α]benzimidazole compound as PARP inhibitors. In particular, disclosed in the invention is a compound as shown by formula (I) or a pharmaceutically acceptable salt thereof as a PARP inhibitor.

Highly potent and selective NaV1.7 inhibitors for use as intravenous agents and chemical probes

Storer, R. Ian,Pike, Andy,Swain, Nigel A.,Alexandrou, Aristos J.,Bechle, Bruce M.,Blakemore, David C.,Brown, Alan D.,Castle, Neil A.,Corbett, Matthew S.,Flanagan, Neil J.,Fengas, David,Johnson, M. Scott,Jones, Lyn H.,Marron, Brian E.,Payne, C. Elizabeth,Printzenhoff, David,Rawson, David J.,Rose, Colin R.,Ryckmans, Thomas,Sun, Jianmin,Theile, Jonathan W.,Torella, Rubben,Tseng, Elaine,Warmus, Joseph S.

, p. 4805 - 4811 (2017/10/17)

The discovery and selection of a highly potent and selective NaV1.7 inhibitor PF-06456384, designed specifically for intravenous infusion, is disclosed. Extensive in vitro pharmacology and ADME profiling followed by in vivo preclinical PK and efficacy model data are discussed. A proposed protein–ligand binding mode for this compound is also provided to rationalise the high levels of potency and selectivity over inhibition of related sodium channels. To further support the proposed binding mode, potent conjugates are described which illustrate the potential for development of chemical probes to enable further target evaluation.

COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF MEK

-

, (2015/02/25)

The present invention relates to compounds of formula I: in which n, Y, R1, R2, R3a, R4 and R5 are defined in the Summary of the Invention; capable of inhibiting the activity of MEK. The invention fur

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