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1-benzyl 3-methyl pyrrolidine-1,3-dicarboxylate is a chemical compound that belongs to the class of pyrrolidine carboxylates. It is a derivative of pyrrolidine with a benzyl and a methyl group attached to the nitrogen atom of the pyrrolidine ring. 1-benzyl 3-methyl pyrrolidine-1,3-dicarboxylate is often used in medicinal chemistry as a building block for the synthesis of various pharmaceuticals. Its unique structure and properties, along with its potential biological and pharmacological activities, make it an interesting target for further investigation and development in the field of pharmaceutical science.

188847-00-9

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188847-00-9 Usage

Uses

Used in Pharmaceutical Industry:
1-benzyl 3-methyl pyrrolidine-1,3-dicarboxylate is used as a building block for the synthesis of various pharmaceuticals due to its unique structure and properties. It contributes to the development of new drugs with potential therapeutic applications.
Used in Medicinal Chemistry Research:
1-benzyl 3-methyl pyrrolidine-1,3-dicarboxylate is used as a research compound for exploring its biological and pharmacological activities. Its potential as an anti-inflammatory and analgesic agent makes it a promising candidate for further investigation in the development of new therapeutic agents.
Used in Drug Discovery and Development:
1-benzyl 3-methyl pyrrolidine-1,3-dicarboxylate is utilized in drug discovery and development processes to identify and optimize new drug candidates with potential therapeutic benefits. Its unique chemical properties and structure allow for the design and synthesis of novel compounds with improved pharmacological profiles.

Check Digit Verification of cas no

The CAS Registry Mumber 188847-00-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,8,8,4 and 7 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 188847-00:
(8*1)+(7*8)+(6*8)+(5*8)+(4*4)+(3*7)+(2*0)+(1*0)=189
189 % 10 = 9
So 188847-00-9 is a valid CAS Registry Number.

188847-00-9SDS

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 1-O-benzyl 3-O-methyl pyrrolidine-1,3-dicarboxylate

1.2 Other means of identification

Product number -
Other names N-carbobenzyloxypyrrolidine-3-carboxylic acid methyl ester

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:188847-00-9 SDS

188847-00-9Relevant academic research and scientific papers

Discovery of the PARP (poly ADP-ribose polymerase) inhibitor 2-(1-(4,4-difluorocyclohexyl)piperidin-4-yl)-1H-benzo[d]imidazole-4-carboxamide for the treatment of cancer

Tang, Lin,Wu, Weibin,Zhang, Cunlong,Shi, Zhichao,Chen, Dawei,Zhai, Xin,Jiang, Yuyang

supporting information, (2021/07/28)

In this work, two series of cyclic amine-containing benzimidazole carboxamide derivatives were designed and synthesized as potent anticancer agents. PARP1/2 inhibitory activity assays indicated that most of the compounds showed significant activity. The in vitro antiproliferative activity of these compounds was investigated against four human cancer cell lines (MDA-MB-436, MDA-MB-231, MCF-7 and CAPAN-1), and several compounds exhibited strong cytotoxicity to tumor cells. Among them, 2-(1-(4,4-difluorocyclohexyl)piperidin-4-yl)-1H-benzo[d]imidazole-4-carboxamide (17d) was found to be effective PARP1/2 inhibitors (IC50 = 4.30 and 1.58 nM, respectively). In addition, 17d possessed obvious selective antineoplastic activity and noteworthy microsomal metabolic stability. What's more, further studies revealed that 17d was endowed with an excellent ADME profile. These combined results indicated that 17d could be a promising candidate for the treatment of cancer.

1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS

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Paragraph 0714-0715, (2020/11/30)

The present invention relates to novel compounds and methods for the manufacture of inhibitors of deubiquitylating enzymes (DUBs). In particular, the invention relates to the inhibition of ubiquitin C-terminal hydrolase 30 or ubiquitin specific peptidase 30 (USP30). The novel compounds have formula (I): (Formula (I)) or are pharmaceutically acceptable salts thereof, wherein: R1a, R1b, R1c, R1d, R1e and R1f each independently represent hydrogen, optionally substituted C1-C6 alkyl or optionally substituted C3-C4 cycloalkyl, or R1b and R1c together form an optionally substituted C3-C6 cycloalkyl ring, or R1d and R1e together form an optionally substituted C3-C6 cycloalkyl ring; R2 represents hydrogen or optionally substituted C1-C6 alkyl; A represents an optionally further substituted 5 to 10 membered monocyclic or bicyclic heteroaryl, heterocyclyl or aryl ring; L represents a covalent bond or linker; B represents an optionally substituted 3 to 10 membered monocyclic or bicyclic heterocyclyl, heteroaryl, cycloalkyl or aryl ring; and when -A-L-B is at position x attachment to A is via a carbon ring atom of A, and either: A cannot be triazolopyridazinyl, triazolopyridinyl, imidazotriazinyl, imidazopyrazinyl or pyrrolopyrimidinyl; or B cannot be substituted with phenoxyl; or B cannot be cyclopentyl when L is an oxygen atom.

HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS

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Page/Page column 148; 305, (2020/06/05)

Disclosed are compounds of the formula (I) and pharmaceutically acceptable salts thereof: wherein R1, R2, R4, R5, R6, R7, R8, R9, R10,Z, X1, X2, X3, L2, HET, n and q are as defined herein. The compounds are inhibitors of adrenomedullin receptor subtype 2 (AM2). Also disclosed are the compounds for use in the treatment of diseases modulated AM2, including proliferative diseases such as cancer; pharmaceutical compositions comprising the compounds; methods for preparing the compounds; and intermediates useful in the preparation of the compounds.

Discovery of 2-(1-(3-(4-Chloroxyphenyl)-3-oxo-propyl)pyrrolidine-3-yl)-1H-benzo[d]imidazole-4-carboxamide: A Potent Poly(ADP-ribose) Polymerase (PARP) Inhibitor for Treatment of Cancer

Min, Rui,Wu, Weibin,Wang, Mingzhong,Tang, Lin,Chen, Dawei,Zhao, Huan,Zhang, Cunlong,Jiang, Yuyang

, (2019/05/27)

A series of benzimidazole carboxamide derivatives have been synthesized and characterized by 1H-NMR, 13C-NMR and HRMS. PARP inhibition assays and cellular proliferation assays have also been carried out. Compounds 5cj and 5cp exhibited potential anticancer activities with IC50 values of about 4 nM against both PARP-1 and PARP-2, similar to the reference drug veliparib. The two compounds also displayed slightly better in vitro cytotoxicities against MDA-MB-436 and CAPAN-1 cell lines than veliparib and olaparib, with values of 17.4 μM and 11.4 μM, 19.8 μM and 15.5 μM, respectively. The structure-activity relationship based on molecular docking was discussed as well.

With antifungal activity of the wicked zuozuo apperception compound and its preparation method and application (by machine translation)

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Paragraph 0040-0042, (2017/09/02)

The invention discloses an oxazole compound with anti-fungal activity, a preparation method of the oxazole compound and an application of the oxazole compound to tobacco powdery mildew original fungi or cotton anthracnose original fungi prevention, and belongs to the technical field of organic synthesis. The technical scheme mainly includes that the oxazole compound with the anti-fungal activity is provided with a structure shown in the instruction, R1 refers to propiono, isopropyl, acetyl, ethyl or methyl, and R2 refers to dimethylamino or methylamine. Five oxazole compounds with the anti-fungal activity are synthesized by the novel method, the preparation process is simple in technology and easy to control, target product yield is high, repeatability is fine, and the five prepared oxazole compounds with the anti-fungal activity have a certain prevention function for tobacco powdery mildew original fungi or cotton anthracnose original fungi.

Enzymatic resolution of n-substituted-β-prolines

Mendiola, Javier,Garcia-Cerrada, Susana,De Frutos, Oscar,De La Puente, Maria Luz,Gu, Rui Lin,Khau, Vien V.

scheme or table, p. 292 - 296 (2010/04/22)

A general and straightforward strategy for enzymatic resolution of N-substituted-β-proline has been successfully designed and developed in our research laboratories. A first affinity screen is followed by ratio enzyme/substrate optimization to source our

PYRROLOPYRIDINES AS KINASE INHIBITORS

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Page/Page column 74, (2009/12/23)

Compounds of Formula (I) are useful for inhibition of CHKl and/or CHK2. Methods of using compounds of Formula (I) and stereoisomers and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS

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Page/Page column 41-42, (2010/11/28)

Compounds of Formula (I) inhibit the PARP enzyme and are useful for treating a disease or a disorder associated with PARP. Also disclosed are pharmaceutical compositions comprising compounds of Formula (I), methods of treatment comprising compounds of Formula (I), and methods of inhibiting the PARP enzyme comprising compounds of Formula (I).

Novel phosphorus radical-based routes to horsfiline

Murphy, John A.,Tripoli, Regis,Khan, Tanweer A.,Mali, Umesh W.

, p. 3287 - 3289 (2007/10/03)

(Chemical Equation Presented) Radicals derived from the phosphorus reagents, ethylpiperidine hypophosphite (EPHP) and diethylphosphine oxide (DEPO), are used in two related approaches to synthesis of the alkaloid horsfiline (1). In particular, DEPO proves

Pyridopyrimidines as nonclassical antifolates

-

, (2008/06/13)

2-Amino-4-hydroxy-4,5,6,7-tetrahydropyrido[2,3-d]pyrimidine derivatives of aromatic amides, such as a benzamide or thienylcarboxamide in which the amino portion of the amide is other than L-glutamic acid are inhibitors of enzymes which utilize folic acid,

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