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PROTAC MDM2 Degrader-4

CAT: 0804-HY-128843Size: 1 EachDry Ice: NoHazardous: No
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Description
PROTAC MDM2 Degrader-4 is a MDM2 degrader based on PROTAC technology. PROTAC MDM2 Degrader-4 composes of a potent MDM2 inhibitor, linker, and the MDM2 ligand for E3 ubiquitin ligase[1].
CAS Number
2249750-24-9
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-4.html
Solubility
10 mM in DMSO
Smiles
O=C(N1CC(N(CC(OCCOCCOCCOC(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
C70H74Cl4N8O14
Molecular Weight
1393.19
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
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MDM2

Chemical Information

PROTAC MDM2 Degrader-4
CAS Number2249750-24-9
PubChem CID138911386
IUPAC Name2-[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]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 FormulaC70H74Cl4N8O14
Molecular Weight1393.2
XLogP10.1
Topological Polar Surface Area220
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count16
Rotatable Bond Count27
Heavy Atom Count96
Formal Charge0
Complexity2460
SMILES
CC(C)OC1=C(C=CC(=C1)OC)C2=N[C@H]([C@H](N2C(=O)N3CCN(C(=O)C3)CC(=O)OCCOCCOCCOC(=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/C70H74Cl4N8O14/c1-43(2)95-57-37-53(89-5)23-25-55(57)67-75-63(45-7-15-49(71)16-8-45)65(47-11-19-51(73)20-12-47)81(67)69(87)79-29-27-77(59(83)39-79)41-61(85)93-35-33-91-31-32-92-34-36-94-62(86)42-78-28-30-80(40-60(78)84)70(88)82-66(48-13-21-52(74)22-14-48)64(46-9-17-50(72)18-10-46)76-68(82)56-26-24-54(90-6)38-58(56)96-44(3)4/h7-26,37-38,43-44,63-66H,27-36,39-42H2,1-6H3/t63-,64-,65+,66+/m0/s1
InChIKey
QEEHXVDZCBZARJ-ADRSHWTGSA-N
Chemical Structure
2D Structure
2D structure of PROTAC MDM2 Degrader-4
CAS: 2249750-24-9
CID: 138911386
Formula: C70H74Cl4N8O14
MW: 1393.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1393.2
XLogP310.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count16
Rotatable Bond Count27
Exact Mass1392.404910
Monoisotopic Mass1390.407860
Topological Polar Surface Area220 Ų
Heavy Atom Count96
Formal Charge0
Complexity2460
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
MBS5771492PROTAC MDM2 Degrader-4
A18877-10PROTAC MDM2 Degrader-4 10mg
A18877-5PROTAC MDM2 Degrader-4 5mg
A18877-1PROTAC MDM2 Degrader-4 1mg
T18633-01PROTAC MDM2 Degrader-3
T18631-01PROTAC MDM2 Degrader-1
T18632-01PROTAC MDM2 Degrader-2
A18897-25PROTAC MDM2 Degrader-1 25mg
A18890-10PROTAC MDM2 Degrader-2 10mg
A18890-1PROTAC MDM2 Degrader-2 1mg

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