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1115-65-7

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1115-65-7 Structure

1115-65-7 Structure
IdentificationBack Directory
[Name]

L-CYSTEINESULFINIC ACID
[CAS]

1115-65-7
[Synonyms]

3-Sulfinoalanine
3-sulphino-L-alanine
L-CYSTEINESULFINIC ACID
CYSTEINE(L) SULFINIC ACID
L-cysteine sulphinic acid
2-amino-3-sulfino-propanoic acid
L-CYSTEINESULFINIC ACID 1-HYDRATE
[EINECS(EC#)]

214-228-5
[Molecular Formula]

C3H7NO4S
[MDL Number]

MFCD00044889
[MOL File]

1115-65-7.mol
[Molecular Weight]

153.16
Chemical PropertiesBack Directory
[Melting point ]

>130°C (dec.)
[Boiling point ]

492.8±55.0 °C(Predicted)
[density ]

1.828±0.06 g/cm3(Predicted)
[storage temp. ]

−20°C
[solubility ]

Aqueous Acid (Slightly, Sonicated), Water (Slightly)
[form ]

Solid
[pka]

2.30±0.10(Predicted)
[color ]

White to Off-White
[Water Solubility ]

Soluble to 100 mM in water
[InChI]

InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1
[InChIKey]

ADVPTQAUNPRNPO-REOHCLBHSA-N
[SMILES]

C(O)(=O)[C@H](CS(O)=O)N
Hazard InformationBack Directory
[Definition]

ChEBI: The organosulfinic acid arising from oxidation of the sulfhydryl group of L-cysteine.
[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.
[IC 50]

mGluR1: 3.92 (pEC50); mGluR2: 3.9 (pEC50); mGluR4: 2.7 (pEC50); mGluR5: 4.6 (pEC50); mGluR6: 4.0 (pEC50); mGluR8: 3.94 (pEC50); Human Endogenous Metabolite
[storage]

Desiccate at -20°C
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
Spectrum DetailBack Directory
[Spectrum Detail]

L-CYSTEINESULFINIC ACID(1115-65-7)MS
L-CYSTEINESULFINIC ACID(1115-65-7)1HNMR
L-CYSTEINESULFINIC ACID(1115-65-7)IR1
L-CYSTEINESULFINIC ACID(1115-65-7)IR2
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