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4-(1-AMINO-ETHYL)-BENZOIC ACID METHYL ESTER, with the molecular formula C10H13NO2, is a methyl ester of benzoic acid featuring an aminoethyl group attached to the benzene ring. This chemical compound is recognized for its versatility in organic synthesis and pharmaceutical research, serving as a fundamental building block for the creation of a variety of biologically active molecules. Its unique structure and functional groups render it a valuable intermediate in the production of pharmaceuticals and agrochemicals, and it holds potential for applications in new material development and as a precursor for compounds with pharmacological properties.

80051-07-6

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80051-07-6 Usage

Uses

Used in Pharmaceutical Research and Development:
4-(1-AMINO-ETHYL)-BENZOIC ACID METHYL ESTER is utilized as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of biologically active molecules. Its presence in the molecular structure can enhance the pharmacological properties of the final drug products.
Used in Agrochemical Production:
In the agrochemical industry, 4-(1-AMINO-ETHYL)-BENZOIC ACID METHYL ESTER is employed as a building block for the synthesis of agrochemicals, where its chemical properties can be leveraged to improve the effectiveness of these compounds in agricultural applications.
Used in Organic Synthesis:
4-(1-AMINO-ETHYL)-BENZOIC ACID METHYL ESTER is used as a versatile intermediate in organic synthesis, allowing for the creation of a wide range of chemical compounds that can be applied across various industries.
Used in New Material Development:
4-(1-AMINO-ETHYL)-BENZOIC ACID METHYL ESTER is also used as a precursor in the development of new materials, where its unique structure can contribute to the creation of innovative substances with specialized properties.
Used in the Synthesis of Compounds with Pharmacological Properties:
4-(1-AMINO-ETHYL)-BENZOIC ACID METHYL ESTER is utilized in the synthesis of compounds that possess pharmacological properties, indicating its potential in the discovery and development of new therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 80051-07-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,0,0,5 and 1 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 80051-07:
(7*8)+(6*0)+(5*0)+(4*5)+(3*1)+(2*0)+(1*7)=86
86 % 10 = 6
So 80051-07-6 is a valid CAS Registry Number.

80051-07-6SDS

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 methyl 4-(1-aminoethyl)benzoate

1.2 Other means of identification

Product number -
Other names D-3-Hydroxy-caprinsaeure-methylester

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:80051-07-6 SDS

80051-07-6Relevant academic research and scientific papers

Discovery of Selective Small-Molecule Inhibitors for the ENL YEATS Domain

Ma, Xinyu R.,Xu, Longxia,Xu, Shiqing,Klein, Brianna J.,Wang, Hongkuan,Das, Sukant,Li, Kuai,Yang, Kai S.,Sohail, Sana,Chapman, Andrew,Kutateladze, Tatiana G.,Shi, Xiaobing,Liu, Wenshe Ray,Wen, Hong

, p. 10997 - 11013 (2021/08/03)

Eleven-nineteen leukemia (ENL) protein is a histone acetylation reader essential for disease maintenance in acute leukemias, in particular, the mixed-lineage leukemia (MLL)-rearranged leukemia. In this study, we carried out high-throughput screening of a small-molecule library to identify inhibitors for the ENL YEATS domain. Structure-activity relationship studies of the hits and structure-based inhibitor design led to two compounds, 11 and 24, with IC50 values below 100 nM in inhibiting the ENL-acetyl-H3 interaction. Both compounds, and their precursor compound 7, displayed strong selectivity toward the ENL YEATS domain over all other human YEATS domains. Moreover, 7 exhibited on-target inhibition of ENL in cultured cells and a synergistic effect with the bromodomain and extraterminal domain inhibitor JQ1 in killing leukemia cells. Together, we have developed selective chemical probes for the ENL YEATS domain, providing the basis for further medicinal chemistry-based optimization to advance both basic and translational research of ENL.

3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF

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Paragraph 00399; 00402; 00403, (2017/09/27)

The present invention provides compounds, compositions thereof, and methods of using the same.

A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase to Counter Nonalcoholic Steatohepatitis

Schmidt, Jurema,Rotter, Marco,Weiser, Tim,Wittmann, Sandra,Weizel, Lilia,Kaiser, Astrid,Heering, Jan,Goebel, Tamara,Angioni, Carlo,Wurglics, Mario,Paulke, Alexander,Geisslinger, Gerd,Kahnt, Astrid,Steinhilber, Dieter,Proschak, Ewgenij,Merk, Daniel

, p. 7703 - 7724 (2017/10/06)

Nonalcoholic steatohepatitis arising from Western diet and lifestyle is characterized by accumulation of fat in liver causing inflammation and fibrosis. It evolves as serious health burden with alarming incidence, but there is no satisfying pharmacological therapy to date. Considering the disease's multifactorial nature, modulation of multiple targets might provide superior therapeutic efficacy. In particular, farnesoid X receptor (FXR) activation that revealed antisteatotic and antifibrotic effects in clinical trials combined with inhibition of soluble epoxide hydrolase (sEH) as anti-inflammatory strategy promises synergies. To exploit this dual concept, we developed agents exerting partial FXR agonism and sEH inhibitory activity. Merging known pharmacophores and systematic exploration of the structure-activity relationship on both targets produced dual modulators with low nanomolar potency. Extensive in vitro characterization confirmed high dual efficacy in cellular context combined with low toxicity, and pilot in vivo data revealed favorable pharmacokinetics as well as engagement on both targets in vivo.

NEW BRADYKININ B1 ANTAGONISTS

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Page/Page column 169-170, (2010/04/03)

The invention relates to compounds of formula (I) where in R1, R1a, R1b, R2, R3 and X, X1, X2, X3 have the meaning as cited in the description and the claims. Said compounds are useful as Bradykinin B1 antagonists. The invention also relates to pharmaceutical compositions, the preparation of such compounds as well as the production and use as medicament.

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