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PROTAC MDM2 Degrader-1

CAT: 0804-HY-128840-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-128840-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PROTAC MDM2 Degrader-1 (Compound 15a) is a MDM2 PROTAC degrader. The structures of both Linker ends of PROTAC MDM2 Degrader-1 are MDM2 ligands. PROTAC MDM2 Degrader-1 can not only block the binding of p53-MDM2, but also degrade the target MDM2 protein by utilizing the function of the E3 ligase of MDM2 itself, thus exerting an anti-tumor effect. (Pink: MDM2 ligand 2 ; Black: Linker (HY-128844) ; Blue: E3 ligase Ligand 15 (HY-128836) )
CAS Number
2249944-98-5
UNSPSC
12352005
Target
MDM-2/p53; PROTACs
Type
Reference compound
Related Pathways
Apoptosis; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/protac-mdm2-degrader-1.html
Purity
98.11
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N1CC(N(CC1)CC(NCCCOCCOCCOCCCNC(CN2C(CN(CC2)C(N3[C@@H](C4=CC=C(C=C4)Cl)[C@@H](C5=CC=C(C=C5)Cl)N=C3C6=C(C=C(C=C6)OC)OC(C)C)=O)=O)=O)=O)=O)N7[C@@H](C8=CC=C(C=C8)Cl)[C@@H](C9=CC=C(C=C9)Cl)N=C7C%10=C(C=C(C=C%10)OC)OC(C)C
Molecular Formula
C74H84Cl4N10O13
Molecular Weight
1463.33
References & Citations
[1]Method of inducing of self-degradation of MDM2 using E3 ubiquitin ligase dimer amide small molecule PROTACs. CN108610333A.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MDM2

Chemical Information

PROTAC MDM2 Degrader-1
CAS Number2249944-98-5
PubChem CID138911383
IUPAC Name2-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]-N-[3-[2-[2-[3-[[2-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide
Molecular FormulaC74H84Cl4N10O13
Molecular Weight1463.3
XLogP9.5
Topological Polar Surface Area235
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count30
Heavy Atom Count101
Formal Charge0
Complexity2550
SMILES
CC(C)OC1=C(C=CC(=C1)OC)C2=N[C@@H]([C@@H](N2C(=O)N3CCN(C(=O)C3)CC(=O)NCCCOCCOCCOCCCNC(=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/C74H84Cl4N10O13/c1-47(2)100-61-41-57(95-5)25-27-59(61)71-81-67(49-9-17-53(75)18-10-49)69(51-13-21-55(77)22-14-51)87(71)73(93)85-33-31-83(65(91)45-85)43-63(89)79-29-7-35-97-37-39-99-40-38-98-36-8-30-80-64(90)44-84-32-34-86(46-66(84)92)74(94)88-70(52-15-23-56(78)24-16-52)68(50-11-19-54(76)20-12-50)82-72(88)60-28-26-58(96-6)42-62(60)101-48(3)4/h9-28,41-42,47-48,67-70H,7-8,29-40,43-46H2,1-6H3,(H,79,89)(H,80,90)/t67-,68-,69+,70+/m1/s1
InChIKey
AQFZQNOXRSZHMG-PQMVWXROSA-N
Chemical Structure
2D Structure
2D structure of PROTAC MDM2 Degrader-1
CAS: 2249944-98-5
CID: 138911383
Formula: C74H84Cl4N10O13
MW: 1463.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1463.3
XLogP39.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count30
Exact Mass1462.494393
Monoisotopic Mass1460.497344
Topological Polar Surface Area235 Ų
Heavy Atom Count101
Formal Charge0
Complexity2550
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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