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MI-63

CAT: 0013-GTR19211824-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211824-02Size:50 mg
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Description
MI-63
CAS Number
908027-21-4
Field of Research
Cell Biology
Smiles
C (C (C) (C) C) [C@@H]1[C@]2 ([C@H] ([C@H] (C (NCCN3CCOCC3) =O) N1) C4=C (F) C (Cl) =CC=C4) C=5C (NC2=O) =CC (Cl) =CC5
Molecular Formula
C29H35Cl2FN4O3
Molecular Weight
577.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2'R,3S,4'S,5'R) 6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (2-morpholin-4-yl-ethyl)-amide

MI-63 is an azaspiro compound resulting from the formal fusion of position 3 of 6-chloro-oxindole with position 3 of (2R,3SS5S)-3-(3-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[2-(morpholin-4-yl)ethyl]pyrrolidine-2-carboxamide. It is a potent inhibitor of the MDM2-p53 interaction. It has a role as an apoptosis inducer. It is a secondary carboxamide, an azaspiro compound, a member of pyrrolidines, a member of oxindoles, a member of morpholines, a member of monochlorobenzenes and a member of monofluorobenzenes.

CAS Number908027-21-4
PubChem CID11512578
IUPAC Name(2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
Molecular FormulaC29H35Cl2FN4O3
Molecular Weight577.5
XLogP4.3
Topological Polar Surface Area82.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity900
SMILES
CC(C)(C)C[C@@H]1[C@]2([C@H]([C@@H](N1)C(=O)NCCN3CCOCC3)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC2=O
InChI
InChI=1S/C29H35Cl2FN4O3/c1-28(2,3)16-22-29(19-8-7-17(30)15-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-9-10-36-11-13-39-14-12-36/h4-8,15,22-23,25,35H,9-14,16H2,1-3H3,(H,33,37)(H,34,38)/t22-,23+,25-,29+/m1/s1
InChIKey
YTBYOWZWBDYLQF-BGLPIVGWSA-N
Chemical Structure
2D Structure
2D structure of (2'R,3S,4'S,5'R) 6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CAS: 908027-21-4
CID: 11512578
Formula: C29H35Cl2FN4O3
MW: 577.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight577.5
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass576.2070245
Monoisotopic Mass576.2070245
Topological Polar Surface Area82.7 Ų
Heavy Atom Count39
Formal Charge0
Complexity900
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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