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RO-5963

CAT: 0013-GTR19203174-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203174-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RO-5963 is a potent small molecule dual inhibitor of the p53-MDM2 and p53-MDMX interactions, with IC50 values of approximately 17 nM and 24 nM, respectively. It is a valuable research tool for reactivating p53 function in cancer cell studies and has demonstrated efficacy in preclinical in vivo tumor models.
CAS Number
1416663-77-8
Product Name Alternative
RO5963, RO-5963, RO 5963, MDMX, Mdm2, p53-MDM2, p53-MDMX, p53
Field of Research
Cell Biology, Protein Biochemistry
Purity
98.00% (May vary between batches)
Solubility
DMSO:50 mg/mL (96.36 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (6.36 mM)
Smiles
C (C (NC (CO) CO) =O) (N1C (=O) C (=CC=2C=3C (NC2) =C (C) C (Cl) =CC3) NC1=O) C4=CC (F) =C (F) C=C4
Molecular Formula
C24H21ClF2N4O5
Molecular Weight
518.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[5-[(6-chloro-7-methylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]-2-(3,4-difluorophenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CAS Number1416663-77-8
PubChem CID136683438
IUPAC Name2-[5-[(6-chloro-7-methylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]-2-(3,4-difluorophenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
Molecular FormulaC24H21ClF2N4O5
Molecular Weight518.9
XLogP1.4
Topological Polar Surface Area134
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity959
SMILES
CC1=C(C=CC2=C1N=CC2=CC3=C(N(C(=O)N3)C(C4=CC(=C(C=C4)F)F)C(=O)NC(CO)CO)O)Cl
InChI
InChI=1S/C24H21ClF2N4O5/c1-11-16(25)4-3-15-13(8-28-20(11)15)7-19-23(35)31(24(36)30-19)21(22(34)29-14(9-32)10-33)12-2-5-17(26)18(27)6-12/h2-8,14,21,32-33,35H,9-10H2,1H3,(H,29,34)(H,30,36)
InChIKey
IFYMUYSGUSHEPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[5-[(6-chloro-7-methylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]-2-(3,4-difluorophenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CAS: 1416663-77-8
CID: 136683438
Formula: C24H21ClF2N4O5
MW: 518.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.9
XLogP31.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass518.1168538
Monoisotopic Mass518.1168538
Topological Polar Surface Area134 Ų
Heavy Atom Count36
Formal Charge0
Complexity959
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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