905580-90-7

Basic information

• Product Name: (1S,2S,4R)-4-[4-[[(1S)-2,3-Dihydro-1H-inden-1-yl]aMino]-7H-pyrrolo[2,3-d]pyriMidin-7-yl]-2-hydroxy-cyclopentaneMethanol
• Synonyms: (1S,2S,4R)-4-[4-[[(1S)-2,3-Dihydro-1H-inden-1-yl]aMino]-7H-pyrrolo[2,3-d]pyriMidin-7-yl]-2-hydroxy-cyclopentaneMethanol;DesulfonaMide MLN 4924;(1S,2S,4R)-4-(4-((S)-2,3-dihydro-1H-inden-1-ylaMino)-7H-pyrrolo[2,3-d]pyriMidin-7-yl)-2-(hydroxyMethyl)cyclopentanol
• CAS NO: 905580-90-7
• Molecular Formula: C₂₁H₂₄N₄O₂
• Molecular Weight: 364.44086
• Product Categories: Bases & Related Reagents;Carbohydrates & Derivatives;Heterocycles;Inhibitors;Intermediates & Fine Chemicals;Nucleotides;Pharmaceuticals
• Mol File: 905580-90-7.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 637.3±55.0 °C(Predicted)
• Appearance: /
• Density: 1.47±0.1 g/cm3(Predicted)
• Solubility: Methanol, Tetrahydrofuran
• PKA: 14.16±0.60(Predicted)
• CAS DataBase Reference: (1S,2S,4R)-4-[4-[[(1S)-2,3-Dihydro-1H-inden-1-yl]aMino]-7H-pyrrolo[2,3-d]pyriMidin-7-yl]-2-hydroxy-cyclopentaneMethanol(CAS DataBase Reference)
• NIST Chemistry Reference: (1S,2S,4R)-4-[4-[[(1S)-2,3-Dihydro-1H-inden-1-yl]aMino]-7H-pyrrolo[2,3-d]pyriMidin-7-yl]-2-hydroxy-cyclopentaneMethanol(905580-90-7)
• EPA Substance Registry System: (1S,2S,4R)-4-[4-[[(1S)-2,3-Dihydro-1H-inden-1-yl]aMino]-7H-pyrrolo[2,3-d]pyriMidin-7-yl]-2-hydroxy-cyclopentaneMethanol(905580-90-7)

Safety Data

• Hazardous Substances Data: 905580-90-7(Hazardous Substances Data)

Usage

Uses

Intermediate in the preparation of MLN 4924 (M425100).

Upstream product

• 1113025-23-2 [(1S,3S,5S)-3-(tritylamino)-6-oxabicyclo[3.1.0]hex-1-yl]methanol 
• 1113025-24-3 (1S,2S,4R)-2-(hydroxymethyl)-4-(tritylamino)cyclopentanol 
• 79200-56-9 (-)-2-azabicyclo[2.2.1]hept-5-en-3-one 
• 1007126-28-4 (1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentanol 
• 298716-03-7 (1R,4R)-4-[(tert-butoxycarbonyl)amino]cyclopent-2-ene-1-carboxylic acid 
• 1113025-57-2 tert-butyl [(1R,3R,4R,5R)-4-bromo-7-oxo-6-oxabicyclo-[3.2.0]hept-3-yl]carbamate 
• 229613-83-6 (–)-methyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate hydrochloride 
• 1113025-20-9 (1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentanol hydrobromide 
• 1113025-58-3 Tert-butyl [(1R,2R,3R,4S)-2-bromo-3-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamate 
• 14052-82-5 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine 
• 1113025-27-6 (1S,2S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxylmethyl)cyclopentanol 
• 32457-23-1 (S)-2,3-dihydro-1H-inden-1-amine hydrochloride 
• 1113025-16-3 methyl (1S,4R)-4-(tritylamino)cyclopent-2-ene-1-carboxylate 
• 1113025-21-0 methyl (4S)-4-(tritylamino)cyclopent-1-ene-1-carboxylate 

Downstream Products

• 905579-51-3 ((1S,2S,4R)-4-(4-(((S)-2,3-dihydro-1H-inden-1-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-hydroxycyclopentyl)-methyl sulfamate 
• 1160295-21-5 ((1S,2S,4R)-4-(4-(((S)-2,3-dihydro-1H-inden-1-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-hydroxycyclopentyl)-methyl sulfamate hydrochloride 

Relevant articles and documents

Tumor inhibitor MLN4924 synthetic method (by machine translation)

The invention discloses tumor inhibitor MLN4924 synthetic method, which belongs to the field of chemical synthesis, the method to compound A and compound E as the starting material, by mitsunobu reaction, amination reaction, deprotected base and sulphur esterification four-step reaction can synthesize the target product MLN4924, has the advantage of short synthetic route, and the raw material source is wide, low cost, mild reaction conditions, the operation is safe, friendly to the environment, high yield, can be up to 40% more than, is suitable for industrial large-scale production. (by machine translation)

HYDROCHLORIDE SALT OF ((1S,2S,4R)-4-{4-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YLAMINO]-7H-PYRROLO [2,3-D]PYRIMIDIN-7-YL}-2-HYDROXYCYCLOPENTYL)METHYL SULFAMATE

Disclosed is a compound of formula (I); crystalline forms thereof, and solvates thereof; pharmaceutical compositions comprising a pharmaceutically effective amount of the compound of formula (I), or a crystalline form thereof, or a solvate thereof, and a pharmaceutically acceptable carrier or diluent; and the use of a compound of formula (I), or a crystalline form thereof, or a solvate thereof, for treating a patient suffering from, or subject to, a pathological condition capable of being ameliorated by inhibiting an El activating enzyme, particularly NAE, including, e.g., cancer.

INHIBITORS OF E1 ACTIVATING ENZYMES

This invention relates to compounds that inhibit El activating enzymes, pharmaceutical compositions comprising the compounds, and methods of using the compounds. The compounds are useful for treating disorders, particularly cell proliferation disorders, including cancers, inflammatory and neurodegenerative disorders; and inflammation associated with infection and cachexia.