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MI-219

CAT: 0931-T68394-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68394-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
908027-55-4
Target
MDM-2/p53, Others
Related Pathways
Others, Apoptosis
Bioactivity
MI-219 is a human double minute 2 (HDM2) inhibitor.
Smiles
C(C(C)(C)C)[C@@H]1[C@]2([C@H]([C@H](C(NCC[C@@H](CO)O)=O)N1)C3=CC(Cl)=CC=C3)C=4C(NC2=O)=CC(Cl)=C(F)C4
Molecular Formula
C27H32Cl2FN3O4
Molecular Weight
552.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-[(3S)-3,4-dihydroxybutyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CAS Number908027-55-4
PubChem CID24877503
IUPAC Name(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-[(3S)-3,4-dihydroxybutyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
Molecular FormulaC27H32Cl2FN3O4
Molecular Weight552.5
XLogP3.7
Topological Polar Surface Area111
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity845
SMILES
CC(C)(C)C[C@@H]1[C@]2([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)C3=CC(=CC=C3)Cl)C4=CC(=C(C=C4NC2=O)Cl)F
InChI
InChI=1S/C27H32Cl2FN3O4/c1-26(2,3)12-21-27(17-10-19(30)18(29)11-20(17)32-25(27)37)22(14-5-4-6-15(28)9-14)23(33-21)24(36)31-8-7-16(35)13-34/h4-6,9-11,16,21-23,33-35H,7-8,12-13H2,1-3H3,(H,31,36)(H,32,37)/t16-,21+,22-,23+,27-/m0/s1
InChIKey
UNXQGBMZYKHQCO-NVHWNKAKSA-N
Chemical Structure
2D Structure
2D structure of (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-[(3S)-3,4-dihydroxybutyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CAS: 908027-55-4
CID: 24877503
Formula: C27H32Cl2FN3O4
MW: 552.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.5
XLogP33.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass551.1753901
Monoisotopic Mass551.1753901
Topological Polar Surface Area111 Ų
Heavy Atom Count37
Formal Charge0
Complexity845
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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