436811-14-2

Basic information

• Product Name: 2-(2,5-DIOXO-HEXAHYDRO-IMIDAZO[4,5-D]IMIDAZOL-1-YL)-4-METHYLSULFANYL-BUTYRIC ACID
• Synonyms: TIMTEC-BB SBB007391;2-(2,5-DIOXO-HEXAHYDRO-IMIDAZO[4,5-D]IMIDAZOL-1-YL)-4-METHYLSULFANYL-BUTYRIC ACID
• CAS NO: 436811-14-2
• Molecular Formula: C9H14N4O4S
• Molecular Weight: 274.3
• Mol File: 436811-14-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 790°Cat760mmHg
• Flash Point: 431.6°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 2.22E-27mmHg at 25°C
• PKA: 4.21±0.10(Predicted)
• CAS DataBase Reference: 2-(2,5-DIOXO-HEXAHYDRO-IMIDAZO[4,5-D]IMIDAZOL-1-YL)-4-METHYLSULFANYL-BUTYRIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2,5-DIOXO-HEXAHYDRO-IMIDAZO[4,5-D]IMIDAZOL-1-YL)-4-METHYLSULFANYL-BUTYRIC ACID(436811-14-2)
• EPA Substance Registry System: 2-(2,5-DIOXO-HEXAHYDRO-IMIDAZO[4,5-D]IMIDAZOL-1-YL)-4-METHYLSULFANYL-BUTYRIC ACID(436811-14-2)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 436811-14-2(Hazardous Substances Data)

Usage

General Description

2-(2,5-dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-4-methylsulfanyl-butyric acid is a chemical compound with a complex molecular structure. It is classified as an imidazole derivative and contains a carboxylic acid group. The compound also features a sulfur atom bonded to a methyl group, as well as a six-membered ring system containing two nitrogen and two oxygen atoms. This chemical compound may have potential applications in medicinal chemistry, particularly in the development of drugs for various therapeutic purposes. Additionally, it may also have uses in research and development within the pharmaceutical industry.

InChI:InChI=1/C9H14N4O4S/c1-18-3-2-4(7(14)15)13-6-5(11-9(13)17)10-8(16)12-6/h4-6H,2-3H2,1H3,(H,11,17)(H,14,15)(H2,10,12,16)/p-1/t4-,5+,6-/m1/s1

Upstream product

• 3720-97-6 4,5-dihydroxy-2-imidazolidinone 
• 23479-37-0 (R)-N-carbamoylmethionine 
• 54896-74-1 (S)-N-carbamoylmethionine 
• 30411-84-8 (RS)-N-carbamoylmethionine 

Relevant articles and documents

Neuroprotective activity of (+)-(S)-2-[(1S,5R)-(3,7-dioxo-2,4,6,8- tetraazabicyclo[3.3.0]oct-2-yl)]-4-methylthiobutanoic acid

A study of the neurotropic, neuroprotective, and antioxidant action of the enantiomers and racemate of 2-[(3,7-dioxo-2,4,6,8-tetraazabicyclo[3.3.0]oct-2- yl)]-4-methylthiobutanoic acid synthesized in a stereoselective reaction of (R)-, (S)-, or (R,S)-N-carbamoylmethionine with 4,5-dihydroxyimidazolidine-2-one showed that only (+)-(S)-2-[(1S,5R)-(3,7-dioxo-2,4,6,8-tetraazabicyclo[3.3.0] oct-2-yl)]-4-methylthiobutanoic acid had neuroprotective properties. X-ray structure analysis showed that the predominating racemate of glycolurils is crystallized from aqueous solutions as a conglomerate. Antioxidant activity was not detected. Pleiades Publishing, Ltd., 2012.

Highly diastereoselective synthesis of 2-monosubstituted 1R,5S(1S,5R)-glycoluriles on the basis of S- and R-N-carbamoyl-α-amino acids

The reactions of 4,5-dihydroxyimidazolidin-2-one with chiral S- and R-N-carbamoyl-α-amino acids occur diastereoselectively with the formation of corresponding 1R,5S(1S,5R)-glycoluriles as predominant diastereomers; the absolute configuration is determined