ChemicalBook--->CAS DataBase List--->331862-41-0

331862-41-0

331862-41-0 Structure

331862-41-0 Structure
IdentificationBack Directory
[Name]

IMR-1A
[CAS]

331862-41-0
[Synonyms]

IMR-1A
IMR-1A, >98%
IMR1A;IMR 1A;IMR-1A
Acetic acid, 2-[2-methoxy-4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-
[Molecular Formula]

C13H11NO5S2
[MDL Number]

MFCD04083080
[MOL File]

331862-41-0.mol
[Molecular Weight]

325.36
Chemical PropertiesBack Directory
[density ]

1.55±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

DMSO:4.0(Max Conc. mg/mL);12.29(Max Conc. mM)
Water:1.0(Max Conc. mg/mL);3.07(Max Conc. mM)
[form ]

Solid
[pka]

3.10±0.10(Predicted)
[color ]

Light yellow to yellow
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

IMR-1A(331862-41-0)1HNMR
Hazard InformationBack Directory
[Biological Activity]

IMR-1A is a potent inhibitor of Notch with IC50 of 0.5 μM and Kd of 2.9 μM. It has antitumor activity.
[in vivo]

IMR-1A (2 mg/kg (iv) and 100 mg/kg (ip)) exhibits low systematic plasma clearance (CL = 7 mL/min/kg) with terminal elimination half-life (T1/ 2) of 2.22 h following a single iv administration. The normal liver blood flow in mice is 90 mL/min/kg and the Vss (volume of distribution) is ~4-fold. Plasma concentrations is quantifiable up to 24 h with Tmax of 0.50 h after ip administration.

< td class="col1 fwb"> Administration:
Animal Model: Male C57 BL/6 mice
Dosage: 2 mg/kg (iv) and 100 mg/kg (ip)
Iv and ip
Result: Exhibited low systematic plasma clearance (CL = 7 mL/min/kg) with terminal elimination half-life (T1/2) of 2.22 h following a single iv administration and plasma concentrations is quantifiable up to 24 h with Tmax of 0.50 h after ip administration.
[target]

< /table>
TargetValue
Notch
(Cell-free assay)
0.5 μM
Notch
(Cell-free assay)
2.9 μM(Kd)
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