936563-86-9

Basic information

• Product Name: 1-Piperidinecarboxylic acid, 3-[4-aMino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyriMidin-1-yl]-, 1,1-diMethylethyl ester
• Synonyms: 1-Piperidinecarboxylic acid, 3-[4-aMino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyriMidin-1-yl]-, 1,1-diMethylethyl ester;tert-butyl 3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
• CAS NO: 936563-86-9
• Molecular Formula: C₂₇H₃₀N₆O₃
• Molecular Weight: 486.5655
• Mol File: 936563-86-9.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-Piperidinecarboxylic acid, 3-[4-aMino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyriMidin-1-yl]-, 1,1-diMethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Piperidinecarboxylic acid, 3-[4-aMino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyriMidin-1-yl]-, 1,1-diMethylethyl ester(936563-86-9)
• EPA Substance Registry System: 1-Piperidinecarboxylic acid, 3-[4-aMino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyriMidin-1-yl]-, 1,1-diMethylethyl ester(936563-86-9)

Safety Data

• Hazardous Substances Data: 936563-86-9(Hazardous Substances Data)

Usage

Molecular structure

The compound has a complex structure consisting of a piperidinecarboxylic acid core, a 1,1-dimethylethyl ester side chain, a pyrazolo[3,4-d]pyrimidin-1-yl] moiety, and amino and phenoxyphenyl substituents.

Core component

The core component of the compound is piperidinecarboxylic acid, which is a heterocyclic compound with a nitrogen atom in the ring.

Ester side chain

The compound has a 1,1-dimethylethyl ester side chain, which is an organic functional group formed by the esterification of a carboxylic acid with an alcohol.

Pyrazolo[3,4-d]pyrimidin-1-yl] moiety

The compound contains a pyrazolo[3,4-d]pyrimidin-1-yl] moiety, which is a fused heterocyclic ring system consisting of a pyrazole and a pyrimidine ring.

Amino and phenoxyphenyl substituents

The compound has amino and phenoxyphenyl substituents, which are organic functional groups that can influence the compound's biological activity and properties.

Pharmaceutical applications

Due to its complex structure and various functional groups, the compound may have potential pharmaceutical applications, affecting different biological pathways.

Safety and handling

It is important to handle and use 1-Piperidinecarboxylic acid, 3-[4-aMino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyriMidin-1-yl]-, 1,1-diMethylethyl ester with caution, following proper safety protocols and regulations to avoid any adverse effects or hazards.

Upstream product

• 151266-23-8 4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidine 
• 2380-63-4 4-Aminopyrazolo<3,4-d>pyrimidin 
• 51067-38-0 4-phenoxyphenylboronic acid 
• 144243-24-3 tert‐butyl 3‐aminopiperidine‐1‐carboxylate 
• 5305-45-3 4,6-dichloro-5-cyanopyrimidine 
• 1276110-38-3 (R)-3-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylic acid tert-butyl ester 
• 330792-68-2 2-[hydroxy-(4-phenoxy-phenyl)-methylene]-malononitrile 
• 2215-77-2 4-Phenoxybenzoic acid 
• 330792-69-3 2-[(4-phenoxy-phenyl)-methoxy-methylene]-malononitrile 
• 330786-24-8 3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 
• 85275-45-2 N-tert-butoxycarbonyl-3-piperidinol 
• 461699-13-8 tert-butyl 3-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-piperidine-1-carboxylate 

Downstream Products

• 1412418-47-3 3-(4-phenoxyphenyl)-1-(piperidine-3-yl)-1H-pyrazolo[3,4-d]pyrimidine-4-amine 
• 1412418-06-4 3-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropanenitrile 
• 1412418-65-5 _{(R)-2-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-4,4-dimethylpent-2-enenitrile} 
• 1412418-18-8 (R)-2-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-3-cyclopropylacrylonitrile 
• 1412418-48-4 (2E)-2-[(E)-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]carbonyl]-3-cyclopropylprop-2-enenitrile 
• 1412418-08-6 2-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-4,4-dimethylpent-2-enenitrile 
• 1642571-07-0 3-(4-phenoxyphenyl)-1-(piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine hydrochloride 
• 936563-87-0 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one 

Relevant articles and documents

BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF

Provided herein are benzenesulfonamide derivatives having Formula (III), pharmaceutical compositions comprising said compounds, and method for using said compounds for disrupting proteins/polypeptides, protein/polypeptide function, and for the treatment of diseases through the disruption of proteins or polypeptides involved in the etiology of the disease. Said compounds comprise fluorinated benzene sulfonamide structures.

PROCESSES AND INTERMEDIATES FOR PREPARING A BTK INHIBITOR

Disclosed is a process for the preparation of certain intermediates, e.g. a process for preparing a compound of formula (I) wherein, R1, R2 and X1 are as defined in the description, and which intermediate and processes are useful in the preparation of a BTK inhibitor, such as ibrutinib.

Preparation method of Bruton's tyrosine kinase inhibitor

The invention relates to the field of drug synthesis, specifically to a preparation method of a Bruton's tyrosine kinase inhibitor. The new method comprises: carrying out a dark reaction between 4-amino-3-(4-phenoxylphenyl)-1H-pyridino(3,4-d)pyrimidine an

Double-site non-reversible brewton tyrosine kinase inhibitors

The invention provides a double-site irreversible Brutons tyrosine kinase inhibitor, a drug combination containing the same and application thereof to the anti-tumor field. The compound provided by the invention has an anti-proliferation inhibiting effect to tumor cell stains such as A549, SGC7901, MCF-7, PC-9 and HL-60, and can be applied to drugs for treating solid tumors or blood cancers related to human or animal cell proliferation; the compound provided by the invention has a better pharmacokinetic property and can be applied to treating solid tumors or blood cancers related to human or animal cell proliferation or autoimmune diseases through oral taking; the compound provided by the invention has a double-site response characteristic.

KINASE INHIBITORS

Provided herein are kinase inhibiting compounds and methods of using the same.

Methods and Compositions for Inhibition of Bone Resorption

Disclosed herein are methods and compounds for inhibiting bone and/or cartilage resorption in an individual. The methods comprise administering to the individual a composition comprising a therapeutically effective amount of a compound that is an irreversible inhibitor of a Bruton's tyrosine kinase (BTK), or a pharmaceutically acceptable salt thereof. Also described are irreversible inhibitors of Btk and methods for the preparation of the compounds. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are disclosed, alone or in combination with other therapeutic agents, for the inhibition of cancer metastasis, and for inhibition of bone or cartilage resorption in cancer patients.

TYROSINE KINASE INHIBITORS

The present disclosure provides compounds and pharmaceutically acceptable salts thereof that are tyrosine kinase inhibitors, in particular BLK, BMX, EGFR, HER2, HER4, ITK, TEC, BTK, and TXK and are therefore useful for the treatment of diseases treatable by inhibition of tyrosine kinases such as cancer and inflammatory diseases such as arthritis, and the like. Also provided are pharmaceutical compositions containing such compounds and pharmaceutically acceptable salts thereof and processes for preparing such compounds and pharmaceutically acceptable salts thereof.

Pyrazolo-pyrimidine inhibitors of bruton's tyrosine kinase

Described herein are kinase inhibitor compounds, methods for synthesizing such inhibitors, and methods for using such inhibitors in the treatment of diseases. Further described herein are methods, assays and systems for determining an appropriate inhibitor of a protein, including a kinase.

INHIBITORS OF BRUTON'S TYROSINE KINASE

Disclosed herein are compounds that form covalent bonds with Bruton's tyrosine kinase (Btk). Also described are irreversible inhibitors of Btk. Methods for the preparation of the compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are disclosed, alone or in combination with other therapeutic agents, for the treatment of autoimmune diseases or conditions, heteroimmune diseases or conditions, cancer, including lymphoma, and inflammatory diseases or conditions.