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(1R,2R,4S)-2-[(5-hexen-1-ylmethylamino)carbonyl]-4-[[7-methoxy-8-methyl-2-[4-(1-isopropyl)-2-thiazolyl]-4-quinolinyl]oxy]-Cyclopentanecarboxylic acid methyl ester is a complex chemical compound with a unique structure that includes hexenyl, thiazolyl, isopropyl, methoxy, quinolinyl moieties, a methyl ester functionality, and a cyclopentane carboxylic acid core. (1R,2R,4S)-2-[(5-hexen-1-ylmethylamino)carbonyl]-4-[[7-methoxy-8methyl2-[4-(1-isopropyl)-2-thiazolyl]-4-quinolinyl]oxy]Cyclopentanecarboxylic acid methyl ester's IUPAC name contains stereospecific designations (1R, 2R, 4S), which indicate the specific spatial orientations of the groups around the chiral centers, providing essential information about its 3D structure and potentially its bioactivity.

1042695-87-3

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1042695-87-3 Usage

Uses

Used in Organic Chemistry:
(1R,2R,4S)-2-[(5-hexen-1-ylmethylamino)carbonyl]-4-[[7-methoxy-8-methyl-2-[4-(1-isopropyl)-2-thiazolyl]-4-quinolinyl]oxy]-Cyclopentanecarboxylic acid methyl ester is used as a building block for the synthesis of more complex organic molecules, due to its diverse functional groups and structural features.
Used in Medicinal Chemistry:
(1R,2R,4S)-2-[(5-hexen-1-ylmethylamino)carbonyl]-4-[[7-methoxy-8methyl2-[4-(1-isopropyl)-2-thiazolyl]-4-quinolinyl]oxy]Cyclopentanecarboxylic acid methyl ester is used as a potential lead molecule for the development of new drugs, as its unique structure may exhibit specific biological activities or interactions with biological targets, such as enzymes or receptors.
Used in Pharmaceutical Chemistry:
(1R,2R,4S)-2-[(5-hexen-1-ylmethylamino)carbonyl]-4-[[7-methoxy-8-methyl-2-[4-(1-isopropyl)-2-thiazolyl]-4-quinolinyl]oxy]-Cyclopentanecarboxylic acid methyl ester is used as a candidate for further optimization and modification to improve its pharmacological properties, such as potency, selectivity, and bioavailability, for potential therapeutic applications.

Check Digit Verification of cas no

The CAS Registry Mumber 1042695-87-3 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,4,2,6,9 and 5 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1042695-87:
(9*1)+(8*0)+(7*4)+(6*2)+(5*6)+(4*9)+(3*5)+(2*8)+(1*7)=153
153 % 10 = 3
So 1042695-87-3 is a valid CAS Registry Number.

1042695-87-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl (1R,2R,4S)-2-[5-hexen-1-yl(methyl)carbamoyl]-4-[[2-(4-isopropyl-1,3-thiazol-2-yl)-7-methoxy-8-methyl-4-quinolinyl]oxy]cyclopentanecarboxylate

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1042695-87-3 SDS

1042695-87-3Downstream Products

1042695-87-3Relevant academic research and scientific papers

PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV

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, (2017/01/09)

Disclosed is a process for the preparation of certain intermediates, e.g. those in the scheme below: which intermediates and processes are useful in the preparation of the macrocyclic HVC inhibitor Simeprevir.

PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV

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, (2011/10/10)

A process for preparing [(1R,2R)-4-oxo-1,2-cyclopentanedicarboxylic acid II, by the resolution of racemic 4-oxo-1,2-cyclopentanedicarboxylic acid (V), said process comprising: (a) reacting 4-oxo-1,2-cyclopentanedicarboxylic acid (V) with brucine or (1R,2S)-(-)- ephedrine, thus preparing the bis-brucine or bis-(1R,2S)-(-)-ephedrine salt of (V), and (b) precipitating selectively the bis-brucine or bis-(1R,2S)-(-)-ephedrine salt of (1R,2R)-4-oxo-1,2-cyclopentanedicarboxylic acid II, while the bis-brucine or bis- (1R,2S)-(-)-ephedrine salt of [(1S,2S)-4-oxo-1,2-cyclopentanedicarboxylic acid stays in solution; (c) liberating the acid II by removal of brucine or (1R,2S)-(-)-ephedrine from the precipitated salt obtained in step (b).

PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV

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Page/Page column 22, (2010/07/09)

The present invention relates to the cinchonidine salt useful in the preparation of intermediates for preparing a macrocyclic HCV inhibitor, as well as processes involving this salt.

PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV

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Page/Page column 35-36, (2008/12/07)

The present invention relates to synthesis procedures and intermediates of a compound offormula: (XVII) and the salts thereof.

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