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ChemicalBook--->CAS DataBase List--->220509-74-0

220509-74-0

220509-74-0 Structure

220509-74-0 Structure
IdentificationBack Directory
[Name]

Caspase-3/7 Inhibitor I
[CAS]

220509-74-0
[Synonyms]

abs814634
(S)-Caspase-3/7 Inhibitor I
MMPSI, Caspase-3/7 Inhibitor I
5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2
5-[(2S)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]SULFONYL-1H-INDOLE-2;3-DIONE
1H-Indole-2,3-dione, 5-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]sulfonyl]-
Pyrrolidine,1-[(2,3-dihydro-2,3-dioxo-1H-indol-5-yl)sulfonyl]-2-(MethoxyMethyl)-,(2S)-
[Molecular Formula]

C14 H16 N2 O5 S
[MDL Number]

MFCD22581511
[MOL File]

220509-74-0.mol
[Molecular Weight]

324.35
Chemical PropertiesBack Directory
[density ]

1.415±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

insoluble in H2O; ≥16.2 mg/mL in DMSO; ≥2.17 mg/mL in EtOH with gentle warming and ultrasonic
[form ]

solid
[pka]

8.66±0.20(Predicted)
[color ]

Light yellow to yellow
Spectrum DetailBack Directory
[Spectrum Detail]

Caspase-3/7 Inhibitor I(220509-74-0)1HNMR
Hazard InformationBack Directory
[Biological Activity]

caspase-3/7 inbibitor i is a potent, reversible, isatin sulfonamide-based inhibitor of caspase-3 (ki(app) = 60 nm) and caspase-7 (ki(app) = 170 nm). is a weaker inhibitor of caspase-9 (ki(app) = 3.1 mm). it has only a trivial effect (ki(app) >25 mm) on the activities of caspase-1, caspase-2, caspase-4, caspase-6, and caspase-8. it has been shown to inhibit apoptosis in camptothecin treated jurkat cells (ic50 ~50 μm). also it has been reported to inhibit apoptosis in chondrocytes (44% inhibition at 10 μm and 98% inhibition at 50 μm). selectivity for caspases-3 and 7 involves unique hydrophobic residues in the s2 pocket surrounding the catalytic cysteine residue. [1] [2] in some systems inhibition of caspases-3 and -7 can prevent apoptosis and may therefore have important therapeutic implications. [3]a potent, cell-permeable, and specific, reversible inhibitor of caspase-3 (ki = 60 nm) and caspase-7 (ki = 170 nm).
[target]

Caspase-3
[storage]

Store at -20°C
[References]

1. lee, d., et al. 2001. j. med. chem. 44, 2015. 2. lee, d., et al. 2000. j. biol. chem. 275, 16007. 3. clements, k. m., burton‐wurster, n., nuttall, m. e., & lust, g. (2005). caspase‐3/7 inhibition alters cell morphology in mitomycin?\c treated chondrocytes. journal of cellular physiology, 205(1), 133-140.
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