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1,2,4-Piperazinetricarboxylic acid,4-(1,1-dimethylethyl)2-methyl1-(phenylmethyl)ester,(2S)- is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

314741-38-3

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314741-38-3 Usage

Molecular Structure

The compound consists of a piperazine ring, three carboxylic acid groups, a tert-butyl group, a methyl group, and a phenylmethyl group.

Ester Derivative

It is an ester derivative of piperazine, formed by the reaction of a carboxylic acid group with an alcohol (phenylmethyl alcohol in this case).

Chiral Molecule

It is a chiral molecule, meaning it has a stereocenter at the 2nd carbon atom, and it has a (2S)configuration.

Stereo Configuration

The stereo configuration of (2S)indicates that the hydroxyl-bearing carbon atom (C2) has an "S" configuration in the Cahn-Ingold-Prelog priority rules.

Potential Applications

It is commonly used in organic synthesis and pharmaceutical research due to its potential biological activity and pharmacological properties.

Medicinal Chemistry

It may have applications in medicinal chemistry, contributing to the development of new drugs or therapies.

Drug Development

Its specific uses and effects would depend on further research and testing, which could lead to its incorporation in drug development processes.

Complex Structure

The compound's complex structure, with multiple functional groups and a chiral center, may contribute to its unique properties and potential applications.

Molecular Weight

The molecular weight of the compound is approximately 367.46 g/mol.

Check Digit Verification of cas no

The CAS Registry Mumber 314741-38-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,1,4,7,4 and 1 respectively; the second part has 2 digits, 3 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 314741-38:
(8*3)+(7*1)+(6*4)+(5*7)+(4*4)+(3*1)+(2*3)+(1*8)=123
123 % 10 = 3
So 314741-38-3 is a valid CAS Registry Number.
InChI:InChI=1/C19H26N2O6/c1-18(2,3)27-16(24)20-10-11-21(19(4,13-20)15(22)23)17(25)26-12-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3,(H,22,23)/t19-/m0/s1

314741-38-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name (2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid

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:314741-38-3 SDS

314741-38-3Relevant academic research and scientific papers

ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR

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Page/Page column 327; 328, (2017/06/30)

The present invention relates to compounds of formula (I) wherein G1 to G8 are as defined herein. The compounds are PK inhibitors and as such represent a new approach to treating pathogenic infections, including multidrug resistant pathogens. Disclosed herein are the compounds of formula (I), pharmaceutical compositions comprising the compounds of formula (I) and their use in the treatment of antimicrobial infection. (Formula (1))

Heterocyclic core analogs of a direct thrombin inhibitor

Blizzard, Timothy A.,Singh, Sanjay,Patil, Basanagoud,Chidurala, Naresh,Komanduri, Venukrishnan,Debnath, Samarpita,Belyakov, Sergei,Crespo, Alejandro,Struck, Alice,Kurtz, Marc,Wiltsie, Judyann,Shen, Xun,Sonatore, Lisa,Arocho, Marta,Lewis, Dale,Ogletree, Martin,Biftu, Tesfaye

, p. 1111 - 1115 (2014/03/21)

Thrombin is a serine protease that plays a key role in blood clotting. Pyrrolidine 1 is a potent thrombin inhibitor discovered at Merck several years ago. Seven analogs (2-8) of 1 in which the pyrrolidine core was replaced with various heterocycles were p

THROMBIN INHIBITORS

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, (2013/10/21)

Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure: (I) or a pharmaceutically acceptable salt thereof, wherein Q is CH2, NR4, O, S, S(O) or S(O2

SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS

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Page/Page column 41, (2010/04/06)

The present invention relates to compounds of formula I: and pharmaceutically acceptable salts or tautomers thereof which are inhibitors of the Sonic Hedgehog pathway, in particular Smoantagonists. Thus the compounds of this invention are useful for the treatment of diseases associated with abnormal hedgehog pathway activation, including cancer, for example basal cell carcinoma, medulloblastoma, prostate, pancreatic, breast, colon, bone and small cell lung cancers, and cancers of the upper GI tract.

QUINOLINE DERIVATIVES AS ANTIBACTERIALS

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Page 12, (2010/02/06)

The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt and/or N-oxide thereof: corresponding novel medicaments, pharmaceutical compositions and/or methods of

Compounds and methods for the treatment of neoplastic disease

-

, (2008/06/13)

A method of modulating the activity of a aberrant cell topoisomerase enzyme involving contacting the enzyme with a compound that inhibits enzyme-mediated cleavage of a polynucleotide substrate with which the enzyme is in complex. Pharmaceutical compositions containing such compounds may be used to treat neoplasias or to inhibit the growth of certain cancer cells. Screening methods can be employed to identify other compounds for these uses.

Asymmetric hydrogenation of 1,4,5,6-tetrahydropyrazine-2-(N-tert- butyl)carboxamide catalyzed by trans-chelating chiral diphosphine-rhodium complexes

Kuwano,Ito

, p. 1232 - 1237 (2007/10/03)

Highly enantioselective hydrogenation of 1,4,5,6-tetrahydropyrazine-2- (N-tert-butyl)carboxamide (2) was accomplished by a rhodium complex coordinated with a chiral diphosphine TRAP ligand, which is possible to chelate to a transition metal atom in a trans-manner. Of particular interest is that (R,R)-(S,S)-i-BuTRAP gave 97% ee of the corresponding piperazine-2- carboxylic acid derivative (3) with (S) configuration, while the hydrogenation with (R,R)-(S,S)-MeTRAP-rhodium catalyst provided (R)-3 with up to 85% ee. 31P NMR studies of behavior of i-Bu- and MeTRAP-rhodium catalysts during the reaction suggest that the asymmetric hydrogenation of 2 with TRAPs may involve two competitive reaction pathways, giving their respective enantiomeric products 3.

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