ChemicalBook--->CAS DataBase List--->612530-44-6

612530-44-6

612530-44-6 Structure

612530-44-6 Structure
IdentificationBack Directory
[Name]

5-Phenyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide
[CAS]

612530-44-6
[Synonyms]

PTP1B-IN-1
PTP1B inhibitor 1
1,1-Dioxo-5-phenyl-1,2,5-thiadiazolidin-3-one
5-Phenyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide
1,2,5-Thiadiazolidin-3-one, 5-phenyl-, 1,1-dioxide
[Molecular Formula]

C8H8N2O3S
[MDL Number]

MFCD18206847
[MOL File]

612530-44-6.mol
[Molecular Weight]

212.23
Chemical PropertiesBack Directory
[density ]

1.483
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: ≥ 38 mg/mL (179.05 mM)
[form ]

Powder
[pka]

4.23±0.20(Predicted)
[color ]

White to yellow
[InChI]

InChI=1S/C8H8N2O3S/c11-8-6-10(14(12,13)9-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11)
[InChIKey]

LDCZCUKQWRZSDT-UHFFFAOYSA-N
[SMILES]

S1(=O)(=O)N(C2=CC=CC=C2)CC(=O)N1
Hazard InformationBack Directory
[Uses]

5-Phenyl-1,2,5-thiadiazolidin-3-one 1,1-Dioxide is used in the structure-based design of protein tyrosine phosphatase-1B inhibitors.
[in vivo]

PTP1B-IN-1 (0.1-1 μg, intrathecal injection, single dose) inhibits ER stress and NF-κB activation, exhibits analgesic and anti-inflammatory effects in rats spared nerve injury (SNI) models[3].

Animal Model:Rats SNI models[3]
Dosage:0.1-1 μg
Administration:intrathecal injection, single dose
Result:Increased the paw withdrawal threshold (PWT).
Spectrum DetailBack Directory
[Spectrum Detail]

5-Phenyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide(612530-44-6)1HNMR
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