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1,2-Pyrrolidinedicarboxylic acid, 2-(2-propenyl)-, 1-(1,1-dimethylethyl) 2-methyl ester, (R)- is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

112348-45-5

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112348-45-5 Usage

Chemical Class

Pyrrolidine carboxylic acids

Stereoisomer

2-(2-propenyl)derivative of 1,2-pyrrolidinedicarboxylic acid

Common Usage

Organic synthesis and pharmaceutical research

Also Known As

(R)-baclofen

Receptor Interaction

GABA receptor agonist

Primary Use

Treatment of muscle spasticity

Additional Uses

Treatment of alcoholism and hiccups

Molecular Structure

Contains a pyrrolidine ring, carboxylic acid groups, and a 2-propenyl group

Chirality

(R)configuration at the stereocenter

Ester Functionality

2-methyl ester group present in the molecule

Check Digit Verification of cas no

The CAS Registry Mumber 112348-45-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,3,4 and 8 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 112348-45:
(8*1)+(7*1)+(6*2)+(5*3)+(4*4)+(3*8)+(2*4)+(1*5)=95
95 % 10 = 5
So 112348-45-5 is a valid CAS Registry Number.

112348-45-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-tert-butyl 2-methyl 2-allylpyrrolidine-1,2-dicarboxylate

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:112348-45-5 SDS

112348-45-5Relevant academic research and scientific papers

Oxidative radical cyclizations of diketopiperazines bearing an amidomalonate unit. Heterointermediate reaction sequences toward the asperparalines and stephacidins

Amatov, Tynchtyk,Gebauer, Martin,Pohl, Radek,Cisa?ová, Ivana,Jahn, Ullrich

, p. S6 - S17 (2016)

A novel approach to the diazabicyclo[2.2.2]octane core of prenylated bridged diketopiperazine alkaloids is described by direct oxidative cyclizations of functionalized diketopiperazines mediated by ferrocenium hexafluorophosphate or the Mn(OAc)3?2H2O/Cu(OTf)2 system. Divergent reaction pathways take place depending on the substitution pattern of the substrates and the oxidation conditions such as temperature or the presence or absence of persistent radical TEMPO. For ester-substituted diketopiperazines, the ester group exerts a significant influence on the reaction outcome and stereochemistry of the radical cyclizations.

Anti-tumor diazo dicyclic apoptosis protein inhibitor

-

, (2019/08/01)

The invention provides a novel apoptosis protein inhibitor or pharmaceutically acceptable salts and isomers as well as preparation methods thereof and a pharmaceutical composition. The definition of each group is shown in the description. The invention further provides application of the compound and pharmaceutically acceptable salts and isomers thereof to preparation of medicines for treating IAP(Immimmunosuppressive Acidic Protein) related diseases. The compound disclosed by the invention has high binding affinity to XIAP, cIAP1 and cIAP2 proteins, has an excellent inhibiting effect on cellgrowth in MDA-MB-231 breast cancer and PC-3 pancreatic cancer cell lines, and also has high medicinal value and wide market prospects.

A Convergent Synthesis of Enantiopure Open-Chain, Cyclic, and Fluorinated α-Amino Acids

Li, Shi-Guang,Portela-Cubillo, Fernando,Zard, Samir Z.

, p. 1888 - 1891 (2016/05/19)

A radical based synthesis of a broad variety of protected enantiopure α-amino acids, including fluorinated derivatives, is described. The radical addition furnishes naturally latent mercapto-α-amino acids ideally equipped for native chemical ligation.

A systematic approach to diverse, lead-like scaffolds from α,α-disubstituted amino acids

Foley, Daniel J.,Doveston, Richard G.,Churcher, Ian,Nelson, Adam,Marsden, Stephen P.

supporting information, p. 11174 - 11177 (2015/07/07)

A powerful strategy for the efficient lead-oriented synthesis of novel molecular scaffolds is demonstrated. Twenty two scaffolds were prepared from just four α-amino acid-derived building blocks and a toolkit of six connective reactions. Importantly, each individual scaffold has the ability to specifically target lead-like chemical space.

Synthesis and evaluation of C8-substituted 4.5-spiro lactams as Glycogen Phosphorylase a inhibitors

Loughlin, Wendy A.,Schweiker, Stephanie S.,Jenkins, Ian D.,Henderson, Luke C.

supporting information, p. 1576 - 1582 (2013/03/29)

An effective synthesis of 4.5-spiro lactams 28/29, has been completed in nine steps with an overall yield of 5.8%. The 4.5-spiro lactams were made from 2-allyl-Cbz-Pro-OMe 21, which was converted into the corresponding alcohol 22 via a hindered borane reaction with (2-methylbutyl)2borane. Subsequent Swern oxidation of 22 gave novel aldehyde 23. Aldehyde 23 was treated under Bucherer-Bergs reaction conditions to give hydantoin 26, which was opened to the corresponding amino acid 30 using di-tert-butyl dicarbonate and DMAP followed by hydrolysis. Treatment of amino acid 30 with acidic methanol gave 4.5-spiro lactams 28/29. Only 4.5-spiro lactam 29 displayed moderate activity against GPa with an IC50 of 241 μM.

Design, synthesis, and biological evaluation of new monoamine reuptake inhibitors with potential therapeutic utility in depression and pain

Lucas, Matthew C.,Weikert, Robert J.,Carter, David S.,Cai, Hai-Ying,Greenhouse, Robert,Iyer, Pravin S.,Lin, Clara J.,Lee, Eun Kyung,Madera, Ann Marie,Moore, Amy,Ozboya, Kerem,Schoenfeld, Ryan C.,Steiner, Sandra,Zhai, Yansheng,Lynch, Stephen M.

scheme or table, p. 5559 - 5566 (2011/02/22)

Two new series of monoamine triple reuptake inhibitors (TRIs) have been discovered through scaffold homologation of our recently reported series of 3,3-disubstituted pyrrolidine TRIs. The regioisomeric 2- and 3-ketopyrrolidines demonstrated high levels of

Design, synthesis, and in vitro activity of peptidomimetic inhibitors of myeloid differentiation factor 88

Fantò, Nicola,Gallo, Grazia,Ciacci, Andrea,Semproni, Mauro,Vignola, Davide,Quaglia, Marco,Bombardi, Valentina,Mastroianni, Domenico,Zibella, M. Pia,Basile, Giancarlo,Sassano, Marica,Ruggiero, Vito,De Santis, Rita,Carminati, Paolo

, p. 1189 - 1202 (2008/09/20)

We describe the design and synthesis of a peptidomimetic library derived from the heptapeptide AC-RDVLPGT-NH2, belonging to the Toll/IL-1 receptor (TIR) domain of the adaptor protein MyD88 and effective in inhibiting its homodimerization. The a

Spirobicyclic diamines. Part 3: Synthesis and metal complexation of proline-derived [4.4]-spirodiamines

Kelleher, Fintan,Kelly, Sinead,McKee, Vickie

, p. 9235 - 9242 (2008/02/10)

The syntheses of racemic and homochiral [4.4]-spirolactams, starting from l-proline, in good yields are described. Reduction of the lactam carbonyl group of spirolactams, containing chiral substituents on the lactam nitrogen, with lithium aluminium hydride, gives?a series of homochiral [4.4]-spirodiamines. The crystal structure of one of these spirodiamines on complexation with zinc chloride was obtained. Interestingly it showed a hydrogen-bonded dimeric structure, where the monomers are diastereoisomeric diamines.

A highly practical RCM approach towards a molecular building kit of spirocyclic reverse turn mimics

Bittermann, Holger,Boeckler, Frank,Einsiedel, Juergen,Gmeiner, Peter

, p. 6315 - 6322 (2008/09/19)

The development of privileged molecular scaffolds efficiently mimicking reverse turn motifs and thus increasing both binding and selectivity and enabling the elucidation of the bio-active conformation of a natural peptide has attracted remarkable interest. The frequent occurrence of proline in various turn patterns initiated the design of proline-based reverse turn mimetics. As a structural hybridization of a highly potent type VI β-turn inducer 1 with saturated spirocyclic lactams 3 efficiently mimicking type II β turns, we developed a versatile synthetic route towards unsaturated spirocyclic lactams of type 2, when Seebach's self-reproduction of chirality methodology was combined with a peptide coupling reaction and Grubbs' ring-closing metathesis. By this means, a variety of model peptides with six- up to nine-membered lactam rings were accessible following a uniform pathway. Introduction of suitably protected templates into solid-phase peptide synthesis gave rise to unsaturated spirocyclic analogues of the naturally occurring neuropeptide neurotensin. Spectroscopic investigations as well as DFT calculations on a high level of theory revealed a remarkable dependence of the reverse-turn inducing potency on the ring size. While the secondary structure of the unsaturated spirocyclic ε-lactam 12 closely agrees with the reference γlactam 3a, the unsaturated δ-lactam 11 serves as an extraordinarily potent β-turn inducer which is even superior to β-lactams of type 3b. The eight-membered unsaturated spirocyclic lactam 13 adopts a conformation almost ideally matching the prerequisites for a canonical type II β turn with the highest stability of the whole series. In contrast, the nine-membered spirolactam 14 represents a scaffold with a high conformational flexibility.

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