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RO-5353

CAT: 1410-M11486-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M11486-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, selective, and orally active p53-MDM2 antagonist with IC50 of 7 nM.
CAS Number
1360821-61-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
619.533
Molecular Formula
C29H29Cl2FN4O4S
Notes
Research use only, not for human use.
Receptor
MDM2-p53

Chemical Information

(2s,3r,4r,5r)-N-(4-Carbamoyl-2-Methoxyphenyl)-2'-Chloro-4-(3-Chloro-2-Fluorophenyl)-2-(2,2-Dimethylpropyl)-5'-Oxo-4',5'-Dihydrospiro[pyrrolidine-3,6'-Thieno[3,2-B]pyrrole]-5-Carboxamide
CAS Number1360821-61-9
PubChem CID56649312
IUPAC Name(2'R,3'R,5'S,6R)-N-(4-carbamoyl-2-methoxyphenyl)-2-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-oxospiro[4H-thieno[3,2-b]pyrrole-6,4'-pyrrolidine]-2'-carboxamide
Molecular FormulaC29H29Cl2FN4O4S
Molecular Weight619.5
XLogP5.1
Topological Polar Surface Area151
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity1040
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=C(C=C(S5)Cl)NC2=O
InChI
InChI=1S/C29H29Cl2FN4O4S/c1-28(2,3)12-19-29(24-17(35-27(29)39)11-20(31)41-24)21(14-6-5-7-15(30)22(14)32)23(36-19)26(38)34-16-9-8-13(25(33)37)10-18(16)40-4/h5-11,19,21,23,36H,12H2,1-4H3,(H2,33,37)(H,34,38)(H,35,39)/t19-,21-,23+,29+/m0/s1
InChIKey
UOVSZRTTWLJPHE-HNXAPSNLSA-N
Chemical Structure
2D Structure
2D structure of (2s,3r,4r,5r)-N-(4-Carbamoyl-2-Methoxyphenyl)-2'-Chloro-4-(3-Chloro-2-Fluorophenyl)-2-(2,2-Dimethylpropyl)-5'-Oxo-4',5'-Dihydrospiro[pyrrolidine-3,6'-Thieno[3,2-B]pyrrole]-5-Carboxamide
CAS: 1360821-61-9
CID: 56649312
Formula: C29H29Cl2FN4O4S
MW: 619.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight619.5
XLogP35.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass618.1270601
Monoisotopic Mass618.1270601
Topological Polar Surface Area151 Ų
Heavy Atom Count41
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

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