844443-90-9

Usage

Molecular structure

1-Piperidinecarboxylic acid, 4-[[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazol-3-yl]carbonyl]amino]-, 1,1-dimethylethyl ester features a piperidine ring, a pyrazole ring, and a benzoyl group.

Functional groups

The compound contains various functional groups, including an amino group, a carbonyl group, and a tert-butyl ester group.

Use in organic synthesis

Boc-D-Phe-Cis-OtBu is used as a building block in the synthesis of peptides and other bioactive molecules, due to its ability to modify the activity and properties of biological compounds.

Protection during synthesis

As a tert-butyl ester, Boc-D-Phe-Cis-OtBu offers protection to the functional groups during synthesis and can be later removed to reveal the free carboxylic acid.

Pharmaceutical research

The compound is widely used in pharmaceutical research for the development of new drugs and chemical compounds.

Derivative of piperidinecarboxylic acid

Boc-D-Phe-Cis-OtBu is a derivative of piperidinecarboxylic acid, which is a fundamental building block in the synthesis of various pharmaceutical compounds.

Molecular weight

The molecular weight of Boc-D-Phe-Cis-OtBu is 534.33 g/mol.

Upstream product

• 87120-72-7 1-(tert-butoxycarbonyl)-4-aminopiperidine 
• 844443-80-7 4-[(4-nitro-1H-pyrazole-3-carbonyl)amino]piperidine-1-carboxylic acid tert-butyl ester 
• 825619-04-3 4-(2,6-dichlorobenzamido)-1H-pyrazole-3-carboxylic acid 
• 7719-09-7 thionyl chloride 
• 844443-81-8 4-[(4-amino-1H-pyrazole-3-carbonyl)amino]piperidine-1-carboxylic acid tert-butyl ester 
• 50-30-6 2,6-dichlorobenzoic acid 
• 1002114-29-5 4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid 

Downstream Products

• 844442-38-2 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide 
• 902135-91-5 AT7519 

Relevant academic research and scientific papers

Tartaric acid addition salt of 3,4-disubstituted 1H-pyrazole compound and crystal form thereof

The invention provides one or more pharmaceutical composition of 4-(2,6-dichloro-benzoyl) amino)-1H-pyrazole-3-formate piperidine-4-yl-acyl tartaric acid addition salt, a crystallization form of the tartaric acid addition salt and use of the tartaric acid

COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S

A combination comprising (a) a compound of formula (0): or salts or tautomers or N-oxides or solvates thereof; wherein X is R1-A-NR4— or a 5- or 6-membered carbocyclic or heterocyclic ring; A is a bond, SO2, C═O, NR9

PHARMACEUTICAL COMBINATIONS

The invention provides a combination comprising an ancillary compound and a compound having the formula (0): or salts or tautomers or N-oxides or solvates thereof; wherein X is a group R1-A-NR4- or a 5- or 6-membered carbocyclic or h

PHARMACEUTICAL COMBINATIONS

The invention provides combinations of an ancillary compound of the formula (0): and a compound of the formula (I'): Also provided are crystalline forms of the constituent compounds, methods for making them and their uses in treating cancers.

MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS

The invention provides the use of a compound for the manufacture of a medicament for the treatment of pain, wherein the compound is a compound of the formula (0) : or a salt or tautomers or N-oxides or solvate thereof; wherein X is a group R1-A

Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design

The application of fragment-based screening techniques to cyclin dependent kinase 2 (CDK2) identified multiple (>30) efficient, synthetically tractable small molecule hits for further optimization. Structure-based design approaches led to the identification of multiple lead series, which retained the key interactions of the initial binding fragments and additionally explored other areas of the ATP binding site. The majority of this paper details the structure-guided optimization of indazole (6) using information gained from multiple ligand-CDK2 cocrystal structures. Identification of key binding features for this class of compounds resulted in a series of molecules with low nM affinity for CDK2. Optimisation of cellular activity and characterization of pharmacokinetic properties led to the identification of 33 (AT7519), which is currently being evaluated in clinical trials for the treatment of human cancers.

PHARMACEUTICAL COMBINATIONS OF DIAZOLE DERIVATIVES FOR CANCER TREATMENT

The invention provides a combination comprising (or consisting essentially of) an ancillary compound and a compound of the formula (I): or salts, tautomers, solvates and N-oxides thereof; wherein: R1 is 2,6-dichlorophenyl; R2a and R

4- (2,6-DICHLORO-BENZOYLAMINO) -1H-PYRAZOLE-3-CARBOXYLIC ACID (1-METHANESULPHONYL-PIPERIDIN-4-YL) -AMIDE FOR THE TREATMENT OF CANCER

The invention provides the compound of formula (I) 4-(2,6-dichloro-benzoylamino)-1H-pyrazole- 3-carboxylic acid (l-methanesulphonyl-piperidin-4-yl)-amide in a substantially crystalline form, therapeutic uses thereof and pharmaceutical compositions contain

COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS

The invention provides a combination of a compound having the formula (0) and two or more further anti-cancer agents: or salts or tautomers or N-oxides or solvates thereof; wherein X is a group R1-A-NR4- or a 5- or 6-membered carbocyclic or heterocyclic ring; A is a bond, SO2, C=O, NR9(C=O) or 0(C=O) wherein R9 is hydrogen or C1-4 hydrocarbyl optionally substituted by hydroxy or C1-4 alkoxy; Y is a bond or an alkylene chain of 1 , 2 or 3 carbon atoms in length; R1 is hydrogen; a carbocyclic or heterocyclic group having from 3 to 12 ring members; or a C1-8 hydrocarbyl group optionally substituted by one or more substituents selected from halogen (e.g. fluorine), hydroxy, C1-4 hydrocarbyloxy, amino, mono- or di-C1-4 hydrocarbylamino, and carbocyclic or heterocyclic groups having from 3 to 12 ring members, and wherein 1 or 2 of the carbon atoms of the hydrocarbyl group may optionally be replaced by an atom or group selected from O, S, NH, SO, SO2; R2 is hydrogen; halogen; C1-4 alkoxy (e.g. methoxy); or a C1-4 hydrocarbyl group optionally substituted by halogen (e.g. fluorine), hydroxyl or C1-4 alkoxy (e.g. methoxy); R3 is selected from hydrogen and carbocyclic and heterocyclic groups having from 3 to 12 ring members; and R4 is hydrogen or a C1-4 hydrocarbyl group optionally substituted by halogen (e.g. fluorine), hydroxyl or C1-4 alkoxy (e.g. methoxy).

PHARMACEUTICAL COMPOUNDS

The invention provides a combination of a cytotoxic compound or signalling inhibitor and a compound having the formula (0): or salts or tautomers or N-oxides or solvates thereof; wherein X is a group R1-A-NR4- or a 5- or 6-membered carbocyclic or heterocyclic ring; A is a bond, SO2, C=O, NRg(C=O) or 0(C=O) wherein Rg is hydrogen or C1-4 hydrocarbyl optionally substituted by hydroxy or C1-4alkoxy; Y is a bond or an alkylene chain of 1, 2 or 3 carbon atoms in length; R1 is hydrogen; a carbocyclic or heterocyclic group having from 3 to 12 ring members; or a C1-8hydrocarbyl group optionally substituted by one or more substituents selected from halogen (e.g. fluorine), hydroxy, C1-4 hydrocarbyloxy, amino, mono- or di-C1-4 hydrocarbylamino, and carbocyclic or heterocyclic groups having from 3 to 12 ring members, and wherein 1 or 2 of the carbon atoms of the hydrocarbyl group may optionally be replaced by an atom or group selected from O, S, NH, SO, SO2; R2 is hydrogen; halogen; C1-4 alkoxy (e.g. methoxy); or a C1-4 hydrocarbyl group optionally substituted by halogen (e.g. fluorine), hydroxyl or C1-4alkoxy (e.g. methoxy); R3 is selected from hydrogen and carbocyclic and heterocyclic groups having from 3 to 12 ring members; and R4 is hydrogen or a C1-4 hydrocarbyl group optionally substituted by halogen (e.g. fluorine), hydroxyl or C1-4 alkoxy (e.g. methoxy).