ChemicalBook--->CAS DataBase List--->1309684-94-3

1309684-94-3

1309684-94-3 Structure

1309684-94-3 Structure
IdentificationBack Directory
[Name]

RO8994
[CAS]

1309684-94-3
[Synonyms]

RO8994
CS-2264
RO-8994;RO 8994
RO8994;RO-8994;RO 8994
(2'S,3R,4'S,5'R)-N-[4-(Aminocarbonyl)-2-methoxyphenyl]-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1,2-dihydro-2-oxo-spiro[3H-indole-3,3'-pyrrolidine]-5'-carboxamide
Spiro[3H-indole-3,3'-pyrrolidine]-5'-carboxamide, N-[4-(aminocarbonyl)-2-methoxyphenyl]-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1,2-dihydro-2-oxo-, (2'S,3R,4'S,5'R)-
[Molecular Formula]

C31H31Cl2FN4O4
[MDL Number]

MFCD29472243
[MOL File]

1309684-94-3.mol
[Molecular Weight]

613.51
Chemical PropertiesBack Directory
[Boiling point ]

753.5±60.0 °C(Predicted)
[density ]

1.41±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMF:12.5(Max Conc. mg/mL);20.4(Max Conc. mM)
DMSO:14.0(Max Conc. mg/mL);22.8(Max Conc. mM)
Ethanol:5.0(Max Conc. mg/mL);8.1(Max Conc. mM)
[form ]

A crystalline solid
[pka]

12.00±0.70(Predicted)
[color ]

White to off-white
[InChIKey]

MURAVORBGFDSMA-ISKXDESKSA-N
[SMILES]

N1C2=C(C=CC(Cl)=C2)[C@@]2([C@@H](C3=CC=CC(Cl)=C3F)[C@H](C(NC3=CC=C(C(N)=O)C=C3OC)=O)N[C@H]2CC(C)(C)C)C1=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Description]

RO8994 is an inhibitor of the protein-protein interaction between MDM2 and the tumor suppressor p53 in a homogeneous time-resolved fluorescence (HTRF) binding assay (IC50 = 5 nM). It inhibits the proliferation of SJSA-1, RKO, and HCT116 cells with an average IC50 value of 20 nM and increases apoptosis in SJSA-1 cells in a concentration-dependent manner. RO8994 reduces tumor growth and induces tumor regression in an SJSA-1 osteosarcoma mouse xenograft model when administered at doses of 1.56 and 6.25 mg/kg, respectively.
[Uses]

RO 8994 is a potent and selective spiroindolinone MDM2 inhibitor, and potential useful for cancer therapy.
[References]

[1] ZHUMING ZHANG . Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy[J]. Bioorganic & Medicinal Chemistry, 2014, 22 15: Pages 4001-4009. DOI: 10.1016/j.bmc.2014.05.072
Spectrum DetailBack Directory
[Spectrum Detail]

RO8994(1309684-94-3)1HNMR
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