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N-(2-Ethoxy-2-oxoethyl)-beta-alanine ethyl ester is a beta-alanine derivative that is an ethyl ester of the amino acid beta-alanine. It plays a significant role in the production of carnosine, a compound vital for muscle function and potentially possessing antioxidant properties. This chemical compound is utilized in the pharmaceutical and research sectors due to its potential to enhance muscle performance, endurance, and its possible antioxidant effects.

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  • 3783-61-7 Structure
  • Basic information

    1. Product Name: N-(2-ETHOXY-2-OXOETHYL)-BETA-ALANINE ETHYL ESTER
    2. Synonyms: N-(2-ETHOXY-2-OXOETHYL)-BETA-ALANINE ETHYL ESTER;3-[(2-ethoxy-2-keto-ethyl)amino]propionic acid ethyl ester;ethyl 3-[(2-ethoxy-2-oxoethyl)amino]propanoate;ethyl 3-[(2-ethoxy-2-oxo-ethyl)amino]propanoate;Ethyl 3-(ethoxycarbonylmethylamino)propionate;3-(Ethoxycarbonylmethylamino)propionic acid ethyl ester;Diethyl 2-azabutane-1,4-dicarboxylate;Diethyl N-(carboxymethyl)-beta-alanine
    3. CAS NO:3783-61-7
    4. Molecular Formula: C9H17NO4
    5. Molecular Weight: 203.23558
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 3783-61-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 249-251℃
    3. Flash Point: 120.2 °C
    4. Appearance: /
    5. Density: 1.053 g/cm3
    6. Vapor Pressure: 0.00519mmHg at 25°C
    7. Refractive Index: 1.436 (589.3 nm 25℃)
    8. Storage Temp.: 2-8°C(protect from light)
    9. Solubility: N/A
    10. PKA: 6.67±0.20(Predicted)
    11. CAS DataBase Reference: N-(2-ETHOXY-2-OXOETHYL)-BETA-ALANINE ETHYL ESTER(CAS DataBase Reference)
    12. NIST Chemistry Reference: N-(2-ETHOXY-2-OXOETHYL)-BETA-ALANINE ETHYL ESTER(3783-61-7)
    13. EPA Substance Registry System: N-(2-ETHOXY-2-OXOETHYL)-BETA-ALANINE ETHYL ESTER(3783-61-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 3783-61-7(Hazardous Substances Data)

3783-61-7 Usage

Uses

Used in Pharmaceutical Industry:
N-(2-Ethoxy-2-oxoethyl)-beta-alanine ethyl ester is used as a muscle performance enhancer for its role in increasing carnosine levels in the body, which aids in muscle function and reduces fatigue during physical activity.
Used in Research Applications:
In research, N-(2-Ethoxy-2-oxoethyl)-beta-alanine ethyl ester is utilized as a subject of study for its potential antioxidant properties and its impact on muscle endurance, providing insights into the development of treatments and supplements for athletic performance and muscle health.

Check Digit Verification of cas no

The CAS Registry Mumber 3783-61-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,7,8 and 3 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 3783-61:
(6*3)+(5*7)+(4*8)+(3*3)+(2*6)+(1*1)=107
107 % 10 = 7
So 3783-61-7 is a valid CAS Registry Number.
InChI:InChI=1/C9H17NO4/c1-3-13-8(11)5-6-10-7-9(12)14-4-2/h10H,3-7H2,1-2H3

3783-61-7SDS

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 ethyl 3-[(2-ethoxy-2-oxoethyl)amino]propanoate

1.2 Other means of identification

Product number -
Other names Ethyl 3-(ethoxycarbonylmethylamino)propionate

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:3783-61-7 SDS

3783-61-7Relevant articles and documents

AN IMPROVED PROCESS FOR THE PREPARATION OF UPADACITINIB INTERMEDIATE

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Page/Page column 5-6, (2022/03/09)

The present invention provides an improved process for the preparation of upadacitinib of intermediate of formula II by reacting formula B with Grignard reagent in presence of an Iron catalyst.

Practical synthesis of ethyl 3-fluoro-1-pyrrole-2-carboxylate: A key fragment of a potent drug candidate against hepatitis b virus

René, Adeline,Quilan, Maxime,Deng, Yicheng,Cheng, Yang,Teleha, Christopher A.,Raboisson, Pierre,Bonfanti, Jean-Fran?ois,Fortin, Jér?me,Charette, André. B.,Pannecoucke, Xavier,Poisson, Thomas,Jubault, Philippe

, p. 792 - 801 (2019/10/16)

We report herein the development of two efficient synthetic routes for the preparation of a key fragment required for the synthesis of potent drug candidates of Hepatitis B virus. The ethyl 3-fluoro-1-H-pyrrole-2-carboxylate scaffold was synthesized from readily available starting materials in good overall yields. The scalability of one of the developed routes was demonstrated and afforded the desired target in good yield and excellent purity (99%).

An aza-nucleoside, fragment-like inhibitor of the DNA repair enzyme alkyladenine glycosylase (AAG)

Al Yahyaei, Balqees,Chu, Shuyu,Elliott, Ruan M.,Howlin, Brendan J.,Imperato, Manuel,Lopez, Arnaud,Mas Claret, Eduard,Meira, Lisiane B.,Whelligan, Daniel K.

, (2020/04/23)

The DNA repair enzyme AAG has been shown in mice to promote tissue necrosis in response to ischaemic reperfusion or treatment with alkylating agents. A chemical probe inhibitor is required for investigations of the biological mechanism causing this phenomenon and as a lead for drugs that are potentially protective against tissue damage from organ failure and transplantation, and alkylative chemotherapy. Herein, we describe the rationale behind the choice of arylmethylpyrrolidines as appropriate aza-nucleoside mimics for an inhibitor followed by their synthesis and the first use of a microplate-based assay for quantification of their inhibition of AAG. We finally report the discovery of an imidazol-4-ylmethylpyrrolidine as a fragment-sized, weak inhibitor of AAG.

Method for preparing 3-(3-chloropropyl)-4-oxopyrrolidine-1-ethyl carboxylate

-

Paragraph 0028; 0029; 0034; 0035; 0040; 0041, (2018/12/13)

The invention provides a novel method for preparing 3-(3-chloropropyl)-4-oxopyrrolidine-1-ethyl carboxylate, aiming at solving the technical problems of a traditional 3-(3-chloropropyl)-4-oxopyrrolidine-1-ethyl carboxylate synthesis method in the prior art that a flow is complicated, the environmental hazards are great, the safety is low and the yield is low. The technology takes glycine ethyl ester and ethyl acrylate as starting raw materials, and steps of taking benzylamine as a raw material and carrying out debenzylation in a subsequent process are reduced; a process for preparing the 3-(3-chloropropyl)-4-oxopyrrolidine-1-ethyl carboxylate is greatly simplified; an existing technology needs 6-step reaction, and the technology only needs 5-step reaction, so that the operation is simplified and a production period is shortened; the method is applicable to large-scale industrial production. The technology does not take the benzylamine as the starting raw material, and the generation ofa cancer-causing high-hazard substance, i.e., benzyl chloride, is directly stopped from the source; harms to an ecological environment and body health of people are effectively avoided; a reaction process is safe and accords with environmental protection requirements of China better; the total yield is greatly improved and the yield is greater than or equal to 50 percent.

GNAQ targeted dsRNA compositions and methods for inhibiting expression

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Page/Page column 41, (2017/03/08)

The invention relates to a double-stranded ribonucleic acid (dsRNA) targeting a G-alpha q subunit (GNAQ) of a heterotrimeric G gene, and methods of using the dsRNA to inhibit expression of GNAQ.

Synthesis of models of the BC ring systems of MPC1001 and MPC1001F

Dong, Shuai,Indukuri, Kiran,Clive, Derrick L. J.,Gao, Jin-Ming

supporting information, p. 8271 - 8274 (2016/07/06)

Piperazinedione 13, representing the BC rings of the anti-prostate cancer fungal metabolite MPC1001, was prepared by a route in which a sulfur-stabilized carbanion derived from 22 cyclizes onto the terminal ester of the pendant chain attached to N1. Another model, 14, was synthesized by cyclization of an α-ketoamide nitrogen onto an ester; 14 represents the BC rings of MPC1001F.

Compositions And Methods For Inhibiting Expression Of GSK-3 Genes

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Paragraph 0248-0249, (2016/02/18)

The invention relates to a double-stranded ribonucleic acid (dsRNA) targeting Glycogen Synthase Kinase-3 (GSK-3), and methods of using the dsRNA to inhibit expression of GSK-3.

COMPOSITIONS AND METHODS FOR INHIBITING EXPRESSION OF FACTOR VII GENE

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Paragraph 0244; 0245, (2016/02/28)

The invention relates to a double-stranded ribonucleic acid (dsRNA) for inhibiting the expression of the Factor VII gene.

Compositions and Methods for Inhibiting Expression of Eg5 and VEGF Genes

-

Paragraph 0252; 0253, (2016/03/05)

This invention relates to compositions containing double-stranded ribonucleic acid (dsRNA) in a SNALP formulation, and methods of using the compositions to inhibit the expression of the Eg5 and Vascular Endothelial Growth Factor (VEGF), and methods of usi

ANTI-ANGIOGENESIS COMPOUND, INTERMEDIATE AND USE THEREOF

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Paragraph 0104; 0105, (2016/04/10)

Disclosed are an anti-abnormal proliferation of angiogenesis compound represented by formula I, use and intermediate thereof. The compound has good effect against abnormal proliferation of angiogenesis, and the activity of the compound is produced by inhibiting VEGFR2. The compound can be used for treating diseases, such as wet macular degeneration, inflammation, malignant tumor and the like, caused by abnormity of angiogenesis and protein kinases such as VEGFR2, FGFR2 and the like.

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