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AM-7209

CAT: 1410-M12395-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M12395-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent and selective inhibitor of the MDM2-p53 interaction with Kd of 38 pM, and IC50 of 1.6 nM.
CAS Number
1623432-51-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
747.7
Molecular Formula
C37H41Cl2FN2O7S
Notes
Research use only, not for human use.
Receptor
MDM2-p53

Chemical Information

4-({[(3r,5r,6s)-1-[(1s)-2-(Tert-Butylsulfonyl)-1-Cyclopropylethyl]-6-(4-Chloro-3-Fluorophenyl)-5-(3-Chlorophenyl)-3-Methyl-2-Oxopiperidin-3-Yl]acetyl}amino)-2-Methoxybenzoic Acid
CAS Number1623432-51-8
PubChem CID77108133
IUPAC Name4-[[2-[(3R,5R,6S)-1-[(1S)-2-tert-butylsulfonyl-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl]amino]-2-methoxybenzoic acid
Molecular FormulaC37H41Cl2FN2O7S
Molecular Weight747.7
XLogP6.3
Topological Polar Surface Area138
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count50
Formal Charge0
Complexity1350
SMILES
C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)C3=CC(=C(C=C3)Cl)F)C4=CC(=CC=C4)Cl)CC(=O)NC5=CC(=C(C=C5)C(=O)O)OC
InChI
InChI=1S/C37H41Cl2FN2O7S/c1-36(2,3)50(47,48)20-30(21-9-10-21)42-33(23-11-14-28(39)29(40)16-23)27(22-7-6-8-24(38)15-22)18-37(4,35(42)46)19-32(43)41-25-12-13-26(34(44)45)31(17-25)49-5/h6-8,11-17,21,27,30,33H,9-10,18-20H2,1-5H3,(H,41,43)(H,44,45)/t27-,30-,33-,37-/m1/s1
InChIKey
QGOICCMBEDDFCI-NXQGQTBASA-N
Chemical Structure
2D Structure
2D structure of 4-({[(3r,5r,6s)-1-[(1s)-2-(Tert-Butylsulfonyl)-1-Cyclopropylethyl]-6-(4-Chloro-3-Fluorophenyl)-5-(3-Chlorophenyl)-3-Methyl-2-Oxopiperidin-3-Yl]acetyl}amino)-2-Methoxybenzoic Acid
CAS: 1623432-51-8
CID: 77108133
Formula: C37H41Cl2FN2O7S
MW: 747.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight747.7
XLogP36.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass746.1995564
Monoisotopic Mass746.1995564
Topological Polar Surface Area138 Ų
Heavy Atom Count50
Formal Charge0
Complexity1350
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

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