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RO5353

CAT: 0931-T28603-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28603-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1360821-61-9
Target
Others, MDM-2/p53
Related Pathways
Others, Apoptosis
Bioactivity
RO5353 is a potent and orally active inhibitor of p53-MDM2.
Smiles
C(C(C)(C)C)[C@H]1[C@@]2([C@H]([C@H](C(NC3=C(OC)C=C(C(N)=O)C=C3)=O)N1)C4=C(F)C(Cl)=CC=C4)C5=C(NC2=O)C=C(Cl)S5
Molecular Formula
C29H29Cl2FN4O4S
Molecular Weight
619.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Alternative Products

CatalogName
HY-12580RO5353

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