30411-84-8

Basic information

• Product Name: 4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID
• Synonyms: 4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID;N-carbamoyl-DL-methionine;N-carbamylmethionine;N-(±)-(Aminocarbonyl)methionine;N-(Aminocarbonyl)-DL-methionine;rac-(2R*)-2-(Carbamoylamino)-4-(methylthio)butyric acid
• CAS NO: 30411-84-8
• Molecular Formula: C₆H₁₂N₂O₃S
• Molecular Weight: 192.24
• EINECS: 250-183-8
• Mol File: 30411-84-8.mol

Chemical Properties

• Boiling Point: 401.5°Cat760mmHg
• Flash Point: 196.6°C
• Appearance: /
• Density: 1.315g/cm³
• Vapor Pressure: 1.44E-07mmHg at 25°C
• PKA: 3.71±0.10(Predicted)
• CAS DataBase Reference: 4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID(30411-84-8)
• EPA Substance Registry System: 4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID(30411-84-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 30411-84-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID is used as a potential active pharmaceutical ingredient for its possible bioactive properties. Its unique structure may allow it to interact with biological targets, offering therapeutic benefits in various medical conditions.
Used in Drug Development:
In the field of drug development, 4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID is utilized as a lead compound for the design and synthesis of new pharmaceuticals. Its chemical properties and potential biological activity make it a valuable starting point for creating novel therapeutic agents.
Used in Medicinal Chemistry:
4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID serves as a key component in medicinal chemistry research, where it is studied for its interactions with biological systems. Understanding these interactions can lead to the optimization of its structure for improved efficacy and safety in potential drug applications.
Used in Biological Research:
In biological research, 4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID is employed as a tool compound to investigate cellular and molecular mechanisms. Its effects on biological processes can provide insights into the development of new therapeutic strategies and the understanding of disease pathways.

InChI:InChI=1/C6H12N2O3S/c1-12-3-2-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H3,7,8,11)/p-1/t4-/m1/s1

Upstream product

• 590-28-3 potassium cyanate 
• 59-51-8 DL-methionine 

Downstream Products

• 7349-78-2 DD/LL/LD/DL-methionylmethionine 
• 36963-02-7 3,6-bis[2-(methylthio)ethyl]-2,5-piperazinedione 
• 436811-14-2 (±)-(S)-2-[(1S,5R)-(3,7-dioxo-2,4,6,8-tetraazabicyclo[3.3.0]oct-2-yl)]-4-(methylthio)butanoic acid 
• 436811-14-2 (±)-(S)-2-[(1R,5S)-(3,7-dioxo-2,4,6,8-tetraazabicyclo[3.3.0]oct-2-yl)]-4-(methylthio)butanoic acid 
• 5840-77-7 DL-methionine N-carboxyanhydride 
• 63-68-3 L-methionine 

Relevant articles and documents

A pH-dependent cyanate reactivity model: Application to preparative N-carbamoylation of amino acids

Recent developments in peptide synthesis have underlined the importance of optimising, on a preparative scale, the N-carbamoylation of amino acids by aqueous cyanate. To this purpose, a theoretical model of aqueous cyanate reactivity was designed. The parameters of the model were evaluated, for various pH and temperatures, from a critical survey of the literature, together with additional experimental data. Computer-simulated kinetics based on this model showed the reaction efficiency to be significantly dependent on pH, and suggested optimum conditions to be moderate temperatures and pH 8.5-9. Discussion of the practical convenience of these theoretical results led us to prefer 40-50 °C and a pH range of 7-8 as reaction conditions, thus maintaining reaction times within a few hours. Various N-carbamoyl amino acids (ureido derivatives of glycine, L-valine, L-alanine, L-leucine, DL-methionine, Nε-trifluoroacetyl-L-lysine, β-alanine) were thus successfully synthesised on the gram to kilogram scales.