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Idasanutlin

CAT: 0931-T6254-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T6254-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1229705-06-9
Target
E1/E2/E3 Enzyme, Mdm2, MDM-2/p53
Related Pathways
Apoptosis, Ubiquitination
Purity
0.9988
Bioactivity
Idasanutlin (Ro 5503781) (RG-7388) is an effective and specific p53-MDM2 inhibitor (IC50: 6 nM) .
Smiles
COc1cc(ccc1NC(=O)C1NC(CC(C)(C)C)C(C#N)(C1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O
Molecular Formula
C31H29Cl2F2N3O4
Molecular Weight
616.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Idasanutlin

Idasanutlin is an orally available, small molecule, antagonist of MDM2 (mouse double minute 2; Mdm2 p53 binding protein homolog), with potential antineoplastic activity. Idasanutlin binds to MDM2 blocking the interaction between the MDM2 protein and the transcriptional activation domain of the tumor suppressor protein p53. By preventing the MDM2-p53 interaction, p53 is not enzymatically degraded and the transcriptional activity of p53 is restored. This may lead to p53-mediated induction of tumor cell apoptosis. MDM2, a zinc finger nuclear phosphoprotein and negative regulator of the p53 pathway, is often overexpressed in cancer cells and has been implicated in cancer cell proliferation and survival.

CAS Number1229705-06-9
PubChem CID53358942
IUPAC Name4-[[(2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]-3-methoxybenzoic acid
Molecular FormulaC31H29Cl2F2N3O4
Molecular Weight616.5
XLogP4.3
Topological Polar Surface Area111
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity1040
SMILES
CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NC2=C(C=C(C=C2)C(=O)O)OC)C3=C(C(=CC=C3)Cl)F)(C#N)C4=C(C=C(C=C4)Cl)F
InChI
InChI=1S/C31H29Cl2F2N3O4/c1-30(2,3)14-24-31(15-36,19-10-9-17(32)13-21(19)34)25(18-6-5-7-20(33)26(18)35)27(38-24)28(39)37-22-11-8-16(29(40)41)12-23(22)42-4/h5-13,24-25,27,38H,14H2,1-4H3,(H,37,39)(H,40,41)/t24-,25-,27+,31-/m0/s1
InChIKey
TVTXCJFHQKSQQM-LJQIRTBHSA-N
Chemical Structure
2D Structure
2D structure of Idasanutlin
CAS: 1229705-06-9
CID: 53358942
Formula: C31H29Cl2F2N3O4
MW: 616.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight616.5
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass615.1503181
Monoisotopic Mass615.1503181
Topological Polar Surface Area111 Ų
Heavy Atom Count42
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-15676-01Idasanutlin
205917Idasanutlin (RG7388)
HY-15676A-01Idasanutlin (enantiomer)
A14211-25Idasanutlin 25mg
HY-15676R-01Idasanutlin (Standard)
A14211-5Idasanutlin 5mg
A14211-10Idasanutlin 10mg

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