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41931-13-9

41931-13-9 Structure

41931-13-9 Structure
IdentificationBack Directory
[Name]

4,5-Dichloro-2-m-tolylpyridazin-3(2H)-one
[CAS]

41931-13-9
[Synonyms]

LCS-1
LCS-1 (LCS1)
SOD1 Inhibitor, LCS-1
4,5-Dichloro-2-m-tolylpyridazin-3(2H)-one
4,5-dichloro-2-(3-methylphenyl)pyridazin-3-one
4,5-Dichloro-2-(3-methylphenyl)-3(2H)-pyridazinone
SOD1 Inhibitor, LCS-1 - CAS 41931-13-9 - Calbiochem
3(2H)-Pyridazinone, 4,5-dichloro-2-(3-methylphenyl)-
4,5-dichloro-2-(3-Methylphenyl)-2,3-dihydropyridazin-3-one
4,5-Dichloro-2-m-tolylpyridazin-3(2H)-one ISO 9001:2015 REACH
[Molecular Formula]

C11H8Cl2N2O
[MDL Number]

MFCD00814448
[MOL File]

41931-13-9.mol
[Molecular Weight]

255.1
Chemical PropertiesBack Directory
[Melting point ]

117 °C
[Boiling point ]

339.6±52.0 °C(Predicted)
[density ]

1.39±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: soluble10mg/mL (clear solutikon, warmed)
[form ]

White solid
[pka]

-3.29±0.60(Predicted)
[color ]

white to beige
[InChI]

1S/C11H8Cl2N2O/c1-7-3-2-4-8(5-7)15-11(16)10(13)9(12)6-14-15/h2-6H,1H3
[InChIKey]

SYUPLLHVMCLXEM-UHFFFAOYSA-N
[SMILES]

O=C1C(Cl)=C(Cl)C=NN1C2=CC=CC(C)=C2
Safety DataBack Directory
[Hazard Codes ]

T,Xi
[Risk Statements ]

25-36
[Safety Statements ]

26-45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

LCS 1 is an inhibitor of Superoxide Dismutase 1 (SOD1).
[Biochem/physiol Actions]

LCS-1 is an inhibitor of superoxide dismutase (SOD1). LCS-1 inhibits the proliferation of lung adendocarcinoma cell lines.
[in vivo]

LCS-1 (20 mg/kg; i.p. every other day for 14 days) inhibits MM growth and prolongs host survival in MM.1S-bearing mice[3].

Animal Model:5-week-old female CB17 SCID mice (MM.1S tumors volume=100 mm3)[3]
Dosage:20 mg/kg (diluted in saline)
Administration:Intraperitoneal injections; treated on an every other day schedule for 14 days
Result:Inhibited MM growth and prolongs host survival.
[IC 50]

SOD1: 1.07 μM (IC50)
Spectrum DetailBack Directory
[Spectrum Detail]

4,5-Dichloro-2-m-tolylpyridazin-3(2H)-one(41931-13-9)1HNMR
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