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2,5-Piperazinedione,3-phenyl-,(3S)-(9CI) is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 134521-82-7 Structure
  • Basic information

    1. Product Name: 2,5-Piperazinedione,3-phenyl-,(3S)-(9CI)
    2. Synonyms: 2,5-Piperazinedione,3-phenyl-,(3S)-(9CI);(3S)-3-PHENYLPIPERAZINE-2,5-DIONE
    3. CAS NO:134521-82-7
    4. Molecular Formula: C10H10N2O2
    5. Molecular Weight: 190.2
    6. EINECS: N/A
    7. Product Categories: PIPERIDINE
    8. Mol File: 134521-82-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 554.7±50.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1 +-.0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 12.47±0.40(Predicted)
    10. CAS DataBase Reference: 2,5-Piperazinedione,3-phenyl-,(3S)-(9CI)(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2,5-Piperazinedione,3-phenyl-,(3S)-(9CI)(134521-82-7)
    12. EPA Substance Registry System: 2,5-Piperazinedione,3-phenyl-,(3S)-(9CI)(134521-82-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 134521-82-7(Hazardous Substances Data)

134521-82-7 Usage

Chemical compound

2,5-Piperazinedione,3-phenyl-,(3S)-(9CI)

Class

Piperazine derivatives

Core structure

Piperazinedione with a phenyl and a 3S configuration

Therapeutic applications

Potential medicinal uses

Pharmacological properties

Being studied for its effects in the body

Organic chemistry

Used as a building block for synthesizing other compounds

Ongoing research

Further investigations into its properties and potential uses

Check Digit Verification of cas no

The CAS Registry Mumber 134521-82-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,4,5,2 and 1 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 134521-82:
(8*1)+(7*3)+(6*4)+(5*5)+(4*2)+(3*1)+(2*8)+(1*2)=107
107 % 10 = 7
So 134521-82-7 is a valid CAS Registry Number.

134521-82-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (R)-3-phenylpiperazine-2,5-dione

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:134521-82-7 SDS

134521-82-7Downstream Products

134521-82-7Relevant articles and documents

Histone demethylase LSD1 (lysine specific demethylase 1) inhibitor

-

Paragraph 0024; 0036, (2017/09/29)

The invention provides a histone demethylase LSD1 (lysine specific demethylase 1) inhibitor. The invention relates to piperazine-containing compounds and pharmacologically acceptable salts thereof and use of the piperazine-containing compounds and pharmacologically acceptable salts thereof as the LSD1 inhibitor; the general structural formula of the piperazine-containing compounds is described in the description. The invention belongs to the field of pharmaceutical chemistry. An in-vitro LSD1 activity inhibition test proves that the piperazine-containing compounds implemented by the invention have an obvious inhibiting effect for LSD1 activity, thus being used as active ingredients for preparing LSD1 inhibitor medicines.

Asymmetric synthesis of 2-arylpiperazines

Yokoshima, Satoshi,Watanabe, Kazutoshi,Uehara, Fumiaki,Usui, Yoshihiro,Tanaka, Hiroshi

, p. 5749 - 5751 (2015/02/19)

An asymmetric synthesis of 2-arylpiperazines starting from phenacyl bromides, a variety of which are easily available, has been established. The synthesis features a CBS reduction of phenacyl bromide to provide optically enriched compounds, an SN2 reaction of 1,2,3-oxathiazolidine 2-oxides with an azide anion with invert of configuration, and construction of the piperazine ring via reduction of piperazine-2,3-diones.

Small molecule disruptors of the Glucokinase-Glucokinase regulatory protein interaction: 1. Discovery of a novel tool compound for in vivo proof-of-concept

Ashton, Kate S.,Andrews, Kristin L.,Bryan, Marion C.,Chen, Jie,Chen, Kui,Chen, Michelle,Chmait, Samer,Croghan, Michael,Cupples, Rod,Fotsch, Christopher,Helmering, Joan,Jordan, Steve R.,Kurzeja, Robert J. M.,Michelsen, Klaus,Pennington, Lewis D.,Poon, Steve F.,Sivits, Glenn,Van, Gwyneth,Vonderfecht, Steve L.,Wahl, Robert C.,Zhang, Jiandong,Lloyd, David J.,Hale, Clarence,St. Jean, David J.

, p. 309 - 324 (2014/02/14)

Small molecule activators of glucokinase have shown robust efficacy in both preclinical models and humans. However, overactivation of glucokinase (GK) can cause excessive glucose turnover, leading to hypoglycemia. To circumvent this adverse side effect, we chose to modulate GK activity by targeting the endogenous inhibitor of GK, glucokinase regulatory protein (GKRP). Disrupting the GK-GKRP complex results in an increase in the amount of unbound cytosolic GK without altering the inherent kinetics of the enzyme. Herein we report the identification of compounds that efficiently disrupt the GK-GKRP interaction via a previously unknown binding pocket. Using a structure-based approach, the potency of the initial hit was improved to provide 25 (AMG-1694). When dosed in ZDF rats, 25 showed both a robust pharmacodynamic effect as well as a statistically significant reduction in glucose. Additionally, hypoglycemia was not observed in either the hyperglycemic or normal rats.

A general method for the facile synthesis of optically active 2-substituted piperazines via functionalized 2,5-diketopiperazines

Ashton, Kate S.,Denti, Mitchell,Norman, Mark H.,St. Jean Jr., David J.

, p. 4501 - 4504 (2014/08/05)

Upon utilization of some common methods described in the literature for the synthesis of chiral, 2-substituted 2,5-diketopiperazines, extensive racemization was observed. Further investigation showed that heating in the presence of a mild base racemized the chiral center in the product diketopiperazines. A generalized, readily scalable route was sought and, after investigating the effect of base and temperature, conditions were identified that promoted cyclization without erosion of enantiomeric excess. An array of functionalization was tolerated and this procedure serves as a useful and reliable method for the facile synthesis of this important class of compounds.

Penicillin acylase-catalyzed peptide synthesis in aqueous medium: A chemo-enzymatic route to stereoisomerically pure diketopiperazines

Khimiuk, Andrei Y.,Korennykh, Alexei V.,Van Langen, Luuk M.,Van Rantwijk, Fred,Sheldon, Roger A.,Svedas, Vytas K.

, p. 3123 - 3128 (2007/10/03)

A range of non-natural dipeptides of the general formula D-(-)-phenylglycyl-L-X, where X is a natural α-amino acid, have been prepared by penicillin acylase-catalyzed synthesis in aqueous medium from D-(-)-phenylglycine amide and the corresponding amino acids. The conversion of the dipeptides to the corresponding dipeptide esters, followed by their subsequent spontaneous cyclization afforded the corresponding stereoisomerically pure diketopiperazines.

Interproton Coupling over Five Bonds 5J(H-Cα-C(O)-N-Cα-H) in the Peptide Moiety: The Importance of Specific Association Effects

Barfield, M.,Al-Obeidi, F.A.,Hruby, V.J.,Walter, S.R.

, p. 3302 - 3306 (2007/10/02)

An experimental and theoretical study is presented of the conformational and solvent dependencies of long-range H-H coupling constants 5J(H-Cα-C(O)-N-Cα-H) in compounds which model the peptide backbone.Molecular orbital results for Fermi contact coupling in cis- and trans-N-methylacetamides do not follow a conformational dependence of the homoallylic type; negative values are predicted for most out-of-plane orientations of the Cα-H bonds.In addition, the calculated values for 5CcisHH' and 5CtransHH' are of opposite signs in the planar conformation of cyclo-(Gly-Gly) and the boat conformation of cyclo-(Gly-Tyr).However, relative sign measurements show that these two coupling constants are of the same sign in cyclo-(Gly-Tyr), and that both are positive in cyclo-(Gly-Phgly).The inclusion of five water molecules in the MO calculations for cis-N-methylacetamide and ten water molecules in association with cyclo-(Gly-Gly) led to both positive 5JcisHH' and 5JtransHH'.As a consequence, any applicability of the empirical relationship of 5J(H-Cα-C(O-N-Cα-H) to φ and ψ angles in peptides does not have any theoretical basis in the molecular orbital theory for unhydrated amide bonds.

15N NMR Spectroscopy. 19 - Spectroscopic Characterization of Cyclodipeptides (2,5-Dioxopiperazines)

Kricheldorf, Hans R.

, p. 52 - 58 (2007/10/02)

Various cyclodipeptides containing glycine, alanine, leucine, valine, phenylalanine, phenylglycine and sarcosine units were synthesized by cyclization of dipeptide pentachlorophenyl esters.The 13C and natural abundance 15N NMR spectra of these heterocycles were measured in trifluoroacetic acid and compared with the spectra of the corresponding amino acids and polypeptides.The 13C NMR carbonyl signals of all cyclodipeptides show a 1.5-4.0 ppm upfield shift relative to the corresponding polypeptides.The 15N NMR signals show no such consistent relationship.The substituent effects and the neighbouring residue effects observed in the 15NMR spectra of the cyclodipeptides are different from those of polypeptides, while the one bond N-H coupling constant of cis and trans amide groups was almost identical.The nitrogen and the carbonyl signal of the Gly units in cyclo-Gly-Phe show an extraordinary downfield shift, reflecting the interaction of the phenyl group with the 2,5-dioxopiperazine ring.

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