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PROTAC MDM2 Degrader-3

CAT: 0804-HY-128842-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-128842-01Size:1 mg
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Description
PROTAC MDM2 Degrader-3 is a MDM2 degrader based on PROTAC technology. PROTAC MDM2 Degrader-3 composes of a potent MDM2 inhibitor, linker, and the MDM2 ligand for E3 ubiquitin ligase[1].
CAS Number
2249750-23-8
UNSPSC
12352005
Target
E1/E2/E3 Enzyme; MDM-2/p53; PROTACs
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/protac-mdm2-degrader-3.html
Purity
95.01
Solubility
DMSO : 10 mg/mL (ultrasonic)
Smiles
O=C(N1CC(N(CC(OCCOCCOCCOCCOC(CN2C(CN(C(N3[C@H](C4=CC=C(Cl)C=C4)[C@H](C5=CC=C(Cl)C=C5)N=C3C6=C(C=C(OC)C=C6)OC(C)C)=O)CC2)=O)=O)=O)CC1)=O)N7[C@H](C8=CC=C(Cl)C=C8)[C@H](C9=CC=C(Cl)C=C9)N=C7C%10=C(C=C(OC)C=C%10)OC(C)C
Molecular Formula
C72H78Cl4N8O15
Molecular Weight
1437.25
References & Citations
[1]Method of inducing of self-degradation of MDM2 using E3 ubiquitin ligase dimer amide small molecule PROTACs. CN108610333A.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MDM2

Chemical Information

PROTAC MDM2 Degrader-3
CAS Number2249750-23-8
PubChem CID138911385
IUPAC Name2-[2-[2-[2-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]acetyl]oxyethoxy]ethoxy]ethoxy]ethyl 2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]acetate
Molecular FormulaC72H78Cl4N8O15
Molecular Weight1437.2
XLogP9.9
Topological Polar Surface Area230
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count17
Rotatable Bond Count30
Heavy Atom Count99
Formal Charge0
Complexity2520
SMILES
CC(C)OC1=C(C=CC(=C1)OC)C2=N[C@H]([C@H](N2C(=O)N3CCN(C(=O)C3)CC(=O)OCCOCCOCCOCCOC(=O)CN4CCN(CC4=O)C(=O)N5[C@@H]([C@@H](N=C5C6=C(C=C(C=C6)OC)OC(C)C)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl)C9=CC=C(C=C9)Cl)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C72H78Cl4N8O15/c1-45(2)98-59-39-55(91-5)23-25-57(59)69-77-65(47-7-15-51(73)16-8-47)67(49-11-19-53(75)20-12-49)83(69)71(89)81-29-27-79(61(85)41-81)43-63(87)96-37-35-94-33-31-93-32-34-95-36-38-97-64(88)44-80-28-30-82(42-62(80)86)72(90)84-68(50-13-21-54(76)22-14-50)66(48-9-17-52(74)18-10-48)78-70(84)58-26-24-56(92-6)40-60(58)99-46(3)4/h7-26,39-40,45-46,65-68H,27-38,41-44H2,1-6H3/t65-,66-,67+,68+/m0/s1
InChIKey
KECKJSNYFPFODX-PINBWVOXSA-N
Chemical Structure
2D Structure
2D structure of PROTAC MDM2 Degrader-3
CAS: 2249750-23-8
CID: 138911385
Formula: C72H78Cl4N8O15
MW: 1437.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1437.2
XLogP39.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count17
Rotatable Bond Count30
Exact Mass1436.431124
Monoisotopic Mass1434.434075
Topological Polar Surface Area230 Ų
Heavy Atom Count99
Formal Charge0
Complexity2520
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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Alternative Products

CatalogName
T18633-01PROTAC MDM2 Degrader-3
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A18883-10PROTAC MDM2 Degrader-3 10mg
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T18632-01PROTAC MDM2 Degrader-2
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A18890-10PROTAC MDM2 Degrader-2 10mg
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