787640-36-2

Basic information

• Product Name: 1-Pyrrolidinecarboxylic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-[[(methylsulfonyl)oxy]methyl]-, phenylmethyl ester, (2R,4R)-
• CAS NO: 787640-36-2
• Molecular Weight: 443.637
• Mol File: 787640-36-2.mol

Chemical Properties

• CAS DataBase Reference: 1-Pyrrolidinecarboxylic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-[[(methylsulfonyl)oxy]methyl]-, phenylmethyl ester, (2R,4R)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Pyrrolidinecarboxylic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-[[(methylsulfonyl)oxy]methyl]-, phenylmethyl ester, (2R,4R)-(787640-36-2)
• EPA Substance Registry System: 1-Pyrrolidinecarboxylic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-[[(methylsulfonyl)oxy]methyl]-, phenylmethyl ester, (2R,4R)-(787640-36-2)

Safety Data

• Hazardous Substances Data: 787640-36-2(Hazardous Substances Data)

Usage

Explanation

The compound consists of 20 carbon atoms, 33 hydrogen atoms, 1 nitrogen atom, 5 oxygen atoms, and 1 silicon atom.

Explanation

The total mass of the molecule is calculated by adding the atomic weights of all the atoms in the formula.

Explanation

The compound is derived from 1-Pyrrolidinecarboxylic acid by forming an ester linkage with a phenylmethyl group.

Explanation

The ester derivative contains a phenylmethyl group, which is a phenyl ring (C6H5) connected to a methyl group (CH2O) through an oxygen atom.

Explanation

The compound has a specific three-dimensional arrangement of its atoms, with the (2R,4R) stereochemistry indicating the spatial configuration of the chiral centers at the 2nd and 4th carbon atoms.

Explanation

The compound contains a 1,1-dimethylethyl dimethylsilyl group, which is a silicon atom bonded to two (CH3)3C groups.

Explanation

The compound also features a methylsulfonyl oxy group, which is a methyl group (CH3) connected to a sulfonyl group (SO2) through an oxygen atom.
8. Potential pharmaceutical applications

Explanation

The compound's structure and functional groups suggest that it may have potential uses in the pharmaceutical industry, possibly as a prodrug or due to its specific reactivity or properties.

Explanation

The presence of the carboxylic acid group in the compound indicates that it may undergo hydrolysis in the body, releasing the active pharmaceutical ingredient and allowing it to exert its therapeutic effects.

Molecular weight

393.5 g/mol

Ester derivative

1-Pyrrolidinecarboxylic acid

Phenylmethyl group

(C6H5CH2O)

Stereochemistry

(2R,4R)

1,1-Dimethylethyl dimethylsilyl group

[(CH3)3C]2SiO

Methylsulfonyl oxy group

CH3SO2O

Prodrug potential

Hydrolysis to release active pharmaceutical ingredient

Upstream product

• 36901-86-7 cis-hydroxy-D-proline 
• 51-35-4 4R-4-hydroxyproline 
• 787640-34-0 (2R,4R)-1-benzyl 2-methyl 4-((tert-butyldimethylsilyl)oxy)pyrrolidine-1,2-dicarboxylate 
• 155075-23-3 (2R,4R)-1-benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate 
• 114676-59-4 (2R,4R)-4-hydroxy-2-methoxycarbonylpyrrolidine hydrochloride 
• 77449-94-6 (2R,4R)-4-hydroxypyrrolidine-2-carboxylic acid hydrochloride 
• 444313-67-1 (1R,4R)-5-acetyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one 

Downstream Products

• 1004529-96-7 (2S,4R)-2-cyanomethyl-4-[(tert-butyl)dimethylsilyloxy]-N-(benzyloxycarbonyl)pyrrolidine 
• 661470-56-0 (1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane 
• 1269622-76-5 (2R,4R)-4-(tert-butyl-dimethyl-silanyloxy)-2-(4-pyridin-3-yl-[1,2,3]triazol-1-ylmethyl)-pyrrolidine-1-carboxylic acid benzyl ester 
• 1269622-75-4 (2R,4R)-2-azidomethyl-4-(tert-butyl-dimethyl-silanyloxy)-pyrrolidine-1-carboxylic acid benzyl ester 
• 787640-37-3 (1R,4R)-benzyl 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate 

Relevant articles and documents

PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF

The present invention relates to phenyl amino pyrimidine bicyclic compounds formula (I) which are inhibitors of protein kinases including JAK kinases. In particular the compounds are active against JAK1, JAK2, JAK3 and TYK2 kinases. The kinase inhibitors can be used in the treatment of kinase associated diseases such as immunological and inflammatory diseases including organ transplants; hyperproliferative diseases including cancer and myeloproliferative diseases; viral diseases; metabolic diseases; and vascular diseases.

HETEROCYCLIC CYCLOPENTYL TETRAHYDROISOQUINOLINE AND TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY

The present invention is directed to compounds of formula (I), wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, X, n and the broken lines are as defined herein which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptor CCR-2.