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MD-224

CAT: 0957-S6900-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S6900-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MD-224 is a highly potent and effective degrader of the Human murine double minute 2 (MDM2) protein, the main cellular inhibitor of the tumor suppressor p53. It strongly inhibits cell growth in leukemia cell lines with wild-type p53 and induces complete and lasting tumor regression in the RS4;11 xenograft tumor model.
CAS Number
2136247-12-4
Target
MDM2/MDMX
Activity
Apoptosis
Molecular Formula
C48H43Cl2FN6O6

Chemical Information

(3'R,4'S,5'R)-6''-Chloro-4'-(3-chloro-2-fluorophenyl)-N-(4-((5-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)pent-4-yn-1-yl)carbamoyl)phenyl)-2''-oxodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indoline]-5'-carboxamide
CAS Number2136247-12-4
PubChem CID131986956
Molecular FormulaC48H43Cl2FN6O6
Molecular Weight889.8
XLogP5.9
Topological Polar Surface Area166
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count63
Formal Charge0
Complexity1880
SMILES
C1CCC2(CC1)[C@@]3([C@H]([C@@H](N2)C(=O)NC4=CC=C(C=C4)C(=O)NCCCC#CC5=C6CN(C(=O)C6=CC=C5)C7CCC(=O)NC7=O)C8=C(C(=CC=C8)Cl)F)C9=C(C=C(C=C9)Cl)NC3=O
InChI
InChI=1S/C48H43Cl2FN6O6/c49-29-16-19-34-36(25-29)54-46(63)48(34)39(32-12-8-13-35(50)40(32)51)41(56-47(48)22-4-2-5-23-47)44(61)53-30-17-14-28(15-18-30)42(59)52-24-6-1-3-9-27-10-7-11-31-33(27)26-57(45(31)62)37-20-21-38(58)55-43(37)60/h7-8,10-19,25,37,39,41,56H,1-2,4-6,20-24,26H2,(H,52,59)(H,53,61)(H,54,63)(H,55,58,60)/t37?,39-,41+,48+/m0/s1
InChIKey
ZLGNYFOIDAVMHY-MPKOGUQCSA-N
Chemical Structure
2D Structure
2D structure of (3'R,4'S,5'R)-6''-Chloro-4'-(3-chloro-2-fluorophenyl)-N-(4-((5-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)pent-4-yn-1-yl)carbamoyl)phenyl)-2''-oxodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indoline]-5'-carboxamide
CAS: 2136247-12-4
CID: 131986956
Formula: C48H43Cl2FN6O6
MW: 889.8
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight889.8
XLogP35.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass888.2605167
Monoisotopic Mass888.2605167
Topological Polar Surface Area166 Ų
Heavy Atom Count63
Formal Charge0
Complexity1880
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes