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RO-2468

CAT: 1410-M11485-01Size: 1 EachDry Ice: NoHazardous: No
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Description
A potent, selective, and orally active p53-MDM2 antagonist with IC50 of 6 nM.
CAS Number
1360821-21-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
614.499
Molecular Formula
C30H30Cl2FN5O4
Notes
Research use only, not for human use.
Receptor
MDM2-p53

Chemical Information

(2S,3R,4S,5R)-N-(4-carbamoyl-2-methoxyphenyl)-6'-chloro-4-(3-chloro-2-fluorophenyl)-2-neopentyl-2'-oxo-1',2'-dihydrospiro[pyrrolidine-3,3'-pyrrolo[3,2-c]pyridine]-5-carboxamide
CAS Number1360821-21-1
PubChem CID56941948
IUPAC Name(2'R,3R,3'S,5'S)-N-(4-carbamoyl-2-methoxyphenyl)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-pyrrolidine]-2'-carboxamide
Molecular FormulaC30H30Cl2FN5O4
Molecular Weight614.5
XLogP4.3
Topological Polar Surface Area135
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity1050
SMILES
CC(C)(C)C[C@H]1[C@@]2([C@H]([C@@H](N1)C(=O)NC3=C(C=C(C=C3)C(=O)N)OC)C4=C(C(=CC=C4)Cl)F)C5=CN=C(C=C5NC2=O)Cl
InChI
InChI=1S/C30H30Cl2FN5O4/c1-29(2,3)12-21-30(16-13-35-22(32)11-19(16)37-28(30)41)23(15-6-5-7-17(31)24(15)33)25(38-21)27(40)36-18-9-8-14(26(34)39)10-20(18)42-4/h5-11,13,21,23,25,38H,12H2,1-4H3,(H2,34,39)(H,36,40)(H,37,41)/t21-,23-,25+,30+/m0/s1
InChIKey
CGCOPBXAGSCZNX-FNQJWKMRSA-N
Chemical Structure
2D Structure
2D structure of (2S,3R,4S,5R)-N-(4-carbamoyl-2-methoxyphenyl)-6'-chloro-4-(3-chloro-2-fluorophenyl)-2-neopentyl-2'-oxo-1',2'-dihydrospiro[pyrrolidine-3,3'-pyrrolo[3,2-c]pyridine]-5-carboxamide
CAS: 1360821-21-1
CID: 56941948
Formula: C30H30Cl2FN5O4
MW: 614.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight614.5
XLogP34.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass613.1658880
Monoisotopic Mass613.1658880
Topological Polar Surface Area135 Ų
Heavy Atom Count42
Formal Charge0
Complexity1050
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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