L-Cysteinesulfinic acid

Base Information

• Chemical Name: L-Cysteinesulfinic acid
• CAS No.: 1115-65-7
• Deprecated CAS: 105937-15-3,1400814-44-9
• Molecular Formula: C3H7 N O4 S
• Molecular Weight: 153.159
• Hs Code.: 2930909090
• European Community (EC) Number: 214-228-5
• UNII: 56X032NVQL
• DSSTox Substance ID: DTXSID20862546
• Nikkaji Number: J36.785K
• Wikipedia: Cysteine_sulfinic_acid
• Wikidata: Q2823252
• Metabolomics Workbench ID: 50464
• ChEMBL ID: CHEMBL1160508
• Mol file: 1115-65-7.mol

Synonyms:alanine 3-sulfinic acid;cysteine hydrogen sulfite ester;cysteine sulfinate;cysteine sulfinic acid;cysteinesulfinic acid, (+,-)-;L-cysteinesulfinate

Chemical Property of L-Cysteinesulfinic acid

Chemical Property:

• Vapor Pressure: 4.68E-11mmHg at 25°C
• Boiling Point: 492.8°Cat760mmHg
• PKA: 2.30±0.10(Predicted)
• Flash Point: 251.8°C
• PSA: 119.83000
• Density: 1.828g/cm³
• LogP: 0.18600
• Storage Temp.: −20°C
• Solubility.: Aqueous Acid (Slightly, Sonicated), Water (Slightly)
• XLogP3: -4.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 153.00957888
• Heavy Atom Count: 9
• Complexity: 136

Purity/Quality:

98%,99%, ^*data from raw suppliers

L-Cysteinesulfinic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)O)N)S(=O)O
• Isomeric SMILES: C([C@@H](C(=O)O)N)S(=O)O
• Recent EU Clinical Trials: A proof-of-concept study of the use of Inhaled liposomal -Cyclosporin-A in the treatment of moderate COVID-19-related pneumonia: a two-step phase II clinical trial
• Uses: L-Cysteinesulfinic acid is an NMDA and mGlu receptor agonist. In addition, used to probe conformational flexibility of human DJ-1 which is crucial in protecting against oxidative stress and other factors contributing to Parkinson’s.

Technology Process of L-Cysteinesulfinic acid

There total 9 articles about L-Cysteinesulfinic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

L-Cysteine (52-90-4) → L-cysteinesulfinic acid (1115-65-7) + L-Cysteic acid (498-40-8,3024-83-7)

Guidance literature:

With CrOO⁽²⁺⁾; In isopropyl alcohol; at 25 ℃; Further Variations:; Temperatures; ionic strength; initial concentrations; Kinetics; Thermodynamic data;

DOI:10.1021/jp9809336

Reference yield:

L-Cysteine (52-90-4) → 2-amino-3-hydroxysulfanylpropionic acid (73243-12-6) + L-cysteinesulfinic acid (1115-65-7) + L-Cysteic acid (498-40-8,3024-83-7) + L-cystine (6020-39-9)

Guidance literature:

With N-chlorotaurine sodium salt; In water; at 20 ℃; pH=7; Product distribution; Kinetics;

DOI:10.1002/1521-4184(200212)335:9<411::AID-ARDP411>3.0.CO;2-D

Reference yield:

L-Cysteine (52-90-4) → L-cysteinesulfinic acid (1115-65-7)

Guidance literature:

With cysteine dioxygenase; oxygen; Reagent/catalyst; Enzymatic reaction;

DOI:10.1016/j.abb.2014.06.001

upstream raw materials:

(R)-2-amino-3-(benzylsulfonyl)propanoic acid

L-Cysteine

α-N,N,N-trimethylhistidine

L-histidine

Downstream raw materials:

L-alanin

L-Cysteic acid

L-cystine

Refernces

• 1、 Purdie,J.W.. "-". . p. 1037 - 1043. Retrieved 1969.
• 2、 Mishra, Ritu,Mukhopadhyay, Subrata,Banerjee, Rupendranath. "Reduction mechanism of a coordinated superoxide by thiols in acidic media". . p. 2692 - 2696. Retrieved 2010.
• 3、 Chen, Li,Naowarojna, Nathchar,Song, Heng,Wang, Shu,Wang, Jiangyun,Deng, Zixin,Zhao, Changming,Liu, Pinghua. "Use of a Tyrosine Analogue to Modulate the Two Activities of a Nonheme Iron Enzyme OvoA in Ovothiol Biosynthesis, Cysteine Oxidation versus Oxidative C-S Bond Formation". . p. 4604 - 4612. Retrieved 2018.