1412418-47-3

Basic information

• Product Name: Btk inhibitor 1
• Synonyms: Btk inhibitor 1
• CAS NO: 1412418-47-3
• Molecular Formula: C₂₂H₂₂N₆O
• Molecular Weight: 386.44968
• Mol File: 1412418-47-3.mol

Chemical Properties

• Boiling Point: 626.3±55.0 °C(Predicted)
• Appearance: /
• Density: 1.39±0.1 g/cm3(Predicted)
• PKA: 9.00±0.10(Predicted)
• CAS DataBase Reference: Btk inhibitor 1(CAS DataBase Reference)
• NIST Chemistry Reference: Btk inhibitor 1(1412418-47-3)
• EPA Substance Registry System: Btk inhibitor 1(1412418-47-3)

Safety Data

• Hazardous Substances Data: 1412418-47-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Btk inhibitor 1 is used as a therapeutic agent for the treatment of B cell-related diseases, such as leukemia and autoimmune disorders. Its ability to specifically target Btk and modulate B cell signaling pathways makes it a promising candidate for the development of new drugs targeting B cell-mediated diseases.

Upstream product

• 51067-38-0 4-phenoxyphenylboronic acid 
• 461699-13-8 tert-butyl 3-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-piperidine-1-carboxylate 
• 936563-86-9 tert-butyl 3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate 
• 151266-23-8 4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidine 
• 2380-63-4 4-Aminopyrazolo<3,4-d>pyrimidin 
• 330792-69-3 2-[(4-phenoxy-phenyl)-methoxy-methylene]-malononitrile 
• 1609467-44-8 5-amino-3-(4-phenoxy-phenyl)-1-piperidin-3-yl-1H-pyrazole-4-carbonitrile 
• 98977-36-7 3-oxo-piperidine-1-carboxylic acid tert-butyl ester 
• 1276110-38-3 (R)-3-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylic acid tert-butyl ester 
• 129888-60-4 1-(tert-Butoxycarbonyl)-3-(methanesulfonyloxy)piperidine 
• 330786-24-8 3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 
• 85275-45-2 N-tert-butoxycarbonyl-3-piperidinol 
• 940890-90-4 (S)-3-methanesulfonyloxy-piperidine-1-carboxylic acid tert-butyl ester 
• 2215-77-2 4-Phenoxybenzoic acid 

Downstream Products

• 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 
• 936563-87-0 ibrutinib 
• 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.

Catalytic Azido-Hydrazination of Alkenes Enabled by Visible Light: Mechanistic Studies and Synthetic Applications

A visible-light-enabled catalytic intermolecular azido-hydrazination method for unactivated alkenes is developed via an orderly radical addition sequence. This transformation features metal-free and redox-neutral conditions and is applicable to a wide range of alkenes with commercially available reagents. Mechanistic and kinetic studies reveal that the efficient generation of azide radical enabled by fluorenone under visible-light is critical to this methodology. The β-azido alkyl hydrazines prepared with this reaction can be conveniently derived to valuable synthetic building blocks, and one of the products has been successfully applied in the total synthesis of (±)-ibrutinib, which is used to treat B cell cancers. (Figure presented.).

PROCESS FOR THE PREPARATION OF IBRUTINIB

A processes for the preparation of 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4- d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one (ibrutinib). The disclosed process may be useful for preparing ibrutinib that may be included in pharmaceutical dosage forms.

KINASE INHIBITORS

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

PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT

Disclosed is a process for the preparation of the following compounds: (I), (II) where R1, R1a and R2a have the definitions in the description, as well as a process to prepare other intermediates that may be useful to synthesise downstream products, especially compounds that are useful as medicaments, for instance Bruton's tyrosine kinase (Btk) inhibitors such as ibrutinib. Also disclosed are other processes, other intermediates and compounds per se.

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.