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2-Methyl-L-proline Methyl ester hydrochloride is a chemical compound derived from the amino acid proline, featuring a methyl ester group and a hydrochloride salt form. This derivative is characterized by its crystalline structure and high solubility in water, making it a stable and versatile building block in chemical synthesis and a valuable component in pharmaceutical research and development.

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  • 220060-08-2 Structure
  • Basic information

    1. Product Name: 2-Methyl-L-proline Methyl ester hydrochloride
    2. Synonyms: 2-Methyl-L-proline Methyl ester hydrochloride;methyl (2s)-2-methylpyrrolidine-2-carboxylate hydrochloride;(S)-Methyl 2-methylpyrrolidine-2-carboxylate hydrochloride;methyl (S)-2-methylpyrrolidine-2-carboxylate hydrochloride;(S)-METHYL 2-METHYLPYRROLIDINE-2-CARBOXYLATE HCL;(S)-2-Methylproline Methyl ester hydrochloride;Methyl-L-proline Methyl ester hydrochloride
    3. CAS NO:220060-08-2
    4. Molecular Formula: C7H14ClNO2
    5. Molecular Weight: 179.64456
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 220060-08-2.mol
  • Chemical Properties

    1. Melting Point: 107-109 °C
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Inert atmosphere,Room Temperature
    8. Solubility: Chloroform (Slightly), Dichloromethane (Slightly), Water (Slightly)
    9. CAS DataBase Reference: 2-Methyl-L-proline Methyl ester hydrochloride(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-Methyl-L-proline Methyl ester hydrochloride(220060-08-2)
    11. EPA Substance Registry System: 2-Methyl-L-proline Methyl ester hydrochloride(220060-08-2)
  • 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: 220060-08-2(Hazardous Substances Data)

220060-08-2 Usage

Uses

Used in Pharmaceutical Research and Development:
2-Methyl-L-proline Methyl ester hydrochloride is used as a key component in the synthesis of peptides and proteins, contributing to the development of novel therapeutic agents and drug candidates. Its stability and ease of use in chemical synthesis make it an ideal candidate for creating complex organic molecules with potential medicinal properties.
Used in Chemical Reactions as a Reagent:
In the chemical industry, 2-Methyl-L-proline Methyl ester hydrochloride serves as a reagent in various chemical reactions, facilitating the formation of desired products and enhancing the efficiency of synthetic processes. Its solubility and reactivity make it a preferred choice for researchers and chemists working on the development of new chemical entities and materials.
Used in Organic Synthesis as a Building Block:
2-Methyl-L-proline Methyl ester hydrochloride is utilized as a building block in organic synthesis, allowing for the construction of more complex organic molecules with specific functionalities and properties. Its presence in these molecules can influence their biological activity, making it a valuable tool in the design and synthesis of new compounds with potential applications in various fields, including medicine, agriculture, and materials science.

Check Digit Verification of cas no

The CAS Registry Mumber 220060-08-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,2,0,0,6 and 0 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 220060-08:
(8*2)+(7*2)+(6*0)+(5*0)+(4*6)+(3*0)+(2*0)+(1*8)=62
62 % 10 = 2
So 220060-08-2 is a valid CAS Registry Number.

220060-08-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl (2S)-2-methylpyrrolidine-2-carboxylate,hydrochloride

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:220060-08-2 SDS

220060-08-2Relevant articles and documents

BICYCLIC COMPOUNDS AND METHODS FOR THEIR USE IN TREATING PITT HOPKINS SYNDROME

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Page/Page column 38; 39, (2021/04/30)

Embodiments of this invention provide compounds, compositions, methods, and uses for therapeutic diketopiperazines, including cyclic G-2-Allyl Proline and other cyclic Glycyl Proline compounds to treat Pitt Hopkins Syndrome and symptoms thereof, as well a

Design and Synthesis of 56 Shape-Diverse 3D Fragments

Atobe, Masakazu,Blakemore, David C.,Bond, Paul S.,Chan, Ngai S.,De Fusco, Claudia,Downes, Thomas D.,Firth, James D.,Hubbard, Roderick E.,Jones, S. Paul,Klein, Hanna F.,O'Brien, Peter,Roughley, Stephen D.,Vidler, Lewis R.,Waddelove, Laura,Whatton, Maria Ann,Wheldon, Mary C.,Woolford, Alison J.-A.,Wrigley, Gail L.

supporting information, (2020/07/13)

Fragment-based drug discovery is now widely adopted for lead generation in the pharmaceutical industry. However, fragment screening collections are often predominantly populated with flat, 2D molecules. Herein, we describe a workflow for the design and synthesis of 56 3D disubstituted pyrrolidine and piperidine fragments that occupy under-represented areas of fragment space (as demonstrated by a principal moments of inertia (PMI) analysis). A key, and unique, underpinning design feature of this fragment collection is that assessment of fragment shape and conformational diversity (by considering conformations up to 1.5 kcal mol?1 above the energy of the global minimum energy conformer) is carried out prior to synthesis and is also used to select targets for synthesis. The 3D fragments were designed to contain suitable synthetic handles for future fragment elaboration. Finally, by comparing our 3D fragments with six commercial libraries, it is clear that our collection has high three-dimensionality and shape diversity.

Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development

Wang, Hexiang,Ren, Bo,Liu, Ye,Jiang, Beibei,Guo, Yin,Wei, Min,Luo, Lusong,Kuang, Xianzhao,Qiu, Ming,Lv, Lei,Xu, Hong,Qi, Ruipeng,Yan, Huibin,Xu, Dexu,Wang, Zhiwei,Huo, Chang-Xin,Zhu, Yutong,Zhao, Yuan,Wu, Yiyuan,Qin, Zhen,Su, Dan,Tang, Tristin,Wang, Fan,Sun, Xuebing,Feng, Yingcai,Peng, Hao,Wang, Xing,Gao, Yajuan,Liu, Yong,Gong, Wenfeng,Yu, Fenglong,Liu, Xuesong,Wang, Lai,Zhou, Changyou

, p. 15541 - 15563 (2020/12/22)

Poly (ADP-ribose) polymerase (PARP) plays a significant role in DNA repair responses; therefore, this enzyme is targeted by PARP inhibitors in cancer therapy. Here we have developed a number of fused tetra- or pentacyclic dihydrodiazepinoindolone derivatives with excellent PARP enzymatic and cellular PARylation inhibition activities. These efforts led to the identification of pamiparib (BGB-290, 139), which displays excellent PARP-1 and PARP-2 inhibition with IC50 of 1.3 and 0.9 nM, respectively. In a cellular PARylation assay, this compound inhibits PARP activity with IC50 = 0.2 nM. Cocrystal of pamiparib shows similar binding sites with PARP with other PARP inhibitors, but pamiparib is not a P-gp substrate and shows excellent drug metabolism and pharmacokinetics (DMPK) properties with significant brain penetration (17-19%, mice). The compound is currently being investigated in phase III clinical trials as a maintenance therapy in platinum-sensitive ovarian cancer and gastric cancer.

Chiral amination sulfoxide and preparation method thereof (by machine translation)

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Paragraph 0127; 0137-0138, (2020/11/12)

The invention belongs to the field of organic synthesis, and discloses chiral amination sulfoxide which has the structure of a general formula I. Wherein R is hydrogen or R1 And R2 Each independently selected from one of the following structures: hydrogen, alkyl, alkoxy, ester, trifluoromethyl, trifluoromethoxy, trifluoromethylthio. Halogens, alkynyl groups, alkenyl groups, amino groups, cyano groups, hydroxyl groups, aldehyde groups, carboxyl groups, nitro groups, amide groups, benzene rings, and bonded benzene ring fused rings to naphthalene; R3 Selected from the group consisting of phenyl, optionally substituted phenyl, aryl, heteroaryl, styryl, alkyl, haloalkyl and the like. The method comprises the following steps: forming a complex with a tert-butyl cyclopentadienyl metal iridium complex, forming a complex with the modified chiral proline, and activating C-H bond of enantioselective induced sulfoxide to obtain chiral sulphoxide. The synthetic method disclosed by the invention is high in yield and good in enantioselectivity, and the obtained amidated sulfoxide can be derivatized to obtain a chiral ligand. (by machine translation)

INTEGRIN ANTAGONISTS

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Page/Page column 74, (2018/05/24)

The present disclosure provides therapeutic agents including those of the formula: wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such therapeutic agents. Methods of using the therapeutic agents are also provided.

Spatial Configuration and Three-Dimensional Conformation Directed Design, Synthesis, Antiviral Activity, and Structure-Activity Relationships of Phenanthroindolizidine Analogues

Su, Bo,Cai, Chunlong,Deng, Meng,Wang, Qingmin

, p. 2039 - 2045 (2016/03/30)

Our recent investigation on the antiviral activities against tobacco mosaic virus (TMV) of phenanthroindolizidine alkaloid analogues preliminarily revealed that the basic skeleton and substitution pattern at the C13a position of the molecule, which are cl

NEUROPROTECTIVE BICYCLIC COMPOUNDS AND METHODS FOR THEIR USE IN TREATING AUTISM SPECTRUM DISORDERS AND NEURODEVELOPMENTAL DISORDERS

-

, (2015/02/19)

Embodiments of this invention provide compositions and methods for therapeutic use of diketopiperazines including cyclic G-2-Allyl Proline and other cyclic Glycyl Proline compounds to treat symptoms of Autism Spectrum Disorders and Neurodevelopmental Diso

CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS

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Paragraph 0511; 0512; 0513, (2015/03/31)

There is described a novel group of cyclic amine derivative compounds, having an EP4 receptor antagonistic activity and specifically pharmaceutical compounds which are useful for the treatment or alleviation of Prostaglandin E mediated diseases. The present invention therefore relates to novel compounds which are selective antagonists of the EP4 subtype of PGE2 receptors with analgesic and antinflammatory activity, processes for their preparation, pharmaceutical compositions containing them and their use as medicaments, inter alia for the treatment or alleviation of Prostaglandin E mediated diseases such as acute and chronic pain, osteoarthritis, inflammation-associated disorder as arthritis, rheumatoid arthritis, cancer, migraine and endometriosis.

HETEROCYCLIC COMPOUND

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Paragraph 0350, (2015/11/09)

An object of the present invention is to provide a compound having a superior CH24H inhibitory action, which is useful as an agent for the prophylaxis or treatment of epilepsy, neurodegenerative disease and the like. The present invention relates to a compound represented by the formula: wherein each symbol is as defined in the specification, or a salt thereof.

1 -(CYCLOPENT-2-EN-1 -YL)-3-(2-HYDROXY-3-(ARYLSULFONYL)PHENYL)UREA DERIVATIVES AS CXCR2 INHIBITORS

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Page/Page column 123, (2015/12/18)

The invention relates to 1-(3-sulfonylphenyl)-3-(cyclopent-2-en-1-yl)urea derivatives, and their use in treating or preventing diseases and conditions mediated by the CXCR2 receptor. In addition, the invention relates to compositions containing the derivatives and processes for their preparation.

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