187589-36-2

Usage

Uses

Used in Pharmaceutical Chemistry:
2-Cyanopiperazine is used as a building block for the synthesis of various pharmaceutical compounds. Its piperazine skeleton allows for the creation of diverse drug molecules with potential therapeutic applications.
Used in Agrochemical Chemistry:
2-Cyanopiperazine is used as a key intermediate in the production of agrochemicals, such as pesticides and herbicides. Its incorporation into these compounds can enhance their effectiveness in controlling pests and weeds in agricultural settings.
Used in Organic Chemical Reactions:
2-Cyanopiperazine is used as a reagent in a variety of organic chemical reactions, facilitating the formation of new compounds with desired properties. Its presence can influence the reaction pathways and outcomes, leading to the synthesis of novel molecules with potential applications in various industries.

InChI:InChI=1/C5H9N3.2ClH/c6-3-5-4-7-1-2-8-5;;/h5,7-8H,1-2,4H2;2*1H

Upstream product

• 920-37-6 2-Chloroacrylonitrile 
• 859518-35-7 tert-butyl 3-cyanopiperazine-1-carboxylate 
• 107-15-3 ethylenediamine 

Downstream Products

• 185213-43-8 4-benzyl-2-piperazinecarbonitrile 
• 859518-35-7 tert-butyl 3-cyanopiperazine-1-carboxylate 

Relevant academic research and scientific papers

Antibodies to quetiapine haptens and use thereof

Disclosed is an antibody which binds to quetiapine, which can be used to detect quetiapine in a sample such as in a competitive immunoassay method. The antibody can be used in a lateral flow assay device for point-of-care detection of quetiapine, including multiplex detection of aripiprazole, olanzapine, quetiapine, and risperidone in a single lateral flow assay device.

COMBINATION THERAPIES FOR TREATMENT OF CANCER

Combination therapies for treatment of cancers associated with mutations in the KRAS gene are provided. Compositions comprising therapeutic agents for treatment of cancers associated with mutations in the KRAS gene are also provided.

Antibodies to Quetiapine Haptens and Use Thereof

Disclosed is an antibody which binds to quetiapine, which can be used to detect quetiapine in a sample such as in a competitive immunoassay method. The antibody can be used in a lateral flow assay device for point-of-care detection of quetiapine, including multiplex detection of aripiprazole, olanzapine, quetiapine, and risperidone in a single lateral flow assay device.

COVALENT INHIBITORS OF KRAS G12C

Irreversible inhibitors of G12C mutant K-Ras protein are provided. Also disclosed are methods to modulate the activity of G12C mutant K-Ras protein and methods of treatment of disorders mediated by G12C mutant K-Ras protein.

HAPTENS OF QUETIAPINE FOR USE IN IMMUNOASSAYS

The invention relates to compounds of Formula I, wherein R1, R2, and R3 are defined in the specification, useful for the synthesis of novel conjugates and immunogens derived from quetiapine. The invention also relates to conjugates of a quetiapine hapten and a protein.

Some N-mono- and N, N'-disubstituted derivatives of 2- piperazinecarbonitrile

Five new 4-R1-mono- and 1-R1-4-R2- disubstituted derivatives (R1, R2 = benzyl, benzoyl) of 2-piperazinecarbonitrile were synthesized and fully characterized by PMR and CMR spectral methods. By comparison with model compounds, a preferred axial position was advanced for the cyano group. Substitution of the aminic hydrogen atom by a benzyl or benzoyl group affected the NMR chemical shifts of all piperazine atoms. Careful spectral analysis gave the respective Δδh and Δδc increments, useful in stereochemical assignments. The protons in α with respect to the introduced N- benzyl group were shielded by about 0.4 ppm and the corresponding carbons deshielded by about 6 ppm. The most affected were the axial N-α-protons (Δδh ～ 0.55 ppm). If the N-substituent was benzoyl, the piperazine N-α-protons were largely deshielded, especially those pseudo-equatorially located (by 1.0-1.1 ppm). The NMR shifts were interpreted in terms of through-bond (i.e., inductive) and through-space effects exerted by the introduced N-substituent.

2-cyanopiperazine and method of producing the same

2-Cyanopiperazine represented by the following formula (1): STR1 or a salt thereof. The 2-cyanopiperazine can be produced by reacting a 2-halogenoacrylonitrile with ethylenediamine or by reacting a 2,3-dihalogenopropionitrile with ethylenediamine. The 2-cyanopiperazine is useful as an intermediate for medicaments, agricultural chemicals, etc., and optically active N-tert-butyl-2-piperazine carboxamide, which is useful as an intermediate in preparation of the HIV protease inhibitor indinavir, can be easily produced using the 2-cyanopiperazine.