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MI-1063

CAT: 0804-HY-133754Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-133754Size:1 Each
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Description
MI-1063 is an inhibitor for DMD-2, that blocks the MDM2-p53 interaction, and activates the tumor suppressor function of p53. MI-1063 inhibits the growth of cancer cell RS4-11 and MV4-11 with IC50 of 179 nM and 93 nM. MI-1063 can be used as target protein ligand in synthesis of PROTAC degrader MD-265.
CAS Number
1410737-39-1
UNSPSC
12352005
Target
Ligands for Target Protein for PROTAC; MDM-2/p53
Type
Reference compound
Related Pathways
Apoptosis; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mi-1063.html
Smiles
O=C(O)[C@H]1CC[C@@H](CC1)NC([C@@H]2NC3(CCCCC3)[C@]4(C5=CC=C(C=C5NC4=O)Cl)[C@H]2C6=CC=CC(Cl)=C6F)=O
Molecular Formula
C30H32Cl2FN3O4
Molecular Weight
588.50
References & Citations
[1]Aguilar A, et al., Discovery of MD-265: A Potent MDM2 Degrader That Achieves Complete Tumor Regression and Improves Long-Term Survival of Mice with Leukemia. J Med Chem. 2024 Nov 14;67 (21) :19503-19518.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

CID 71020652
CAS Number1410737-39-1
PubChem CID71020652
Molecular FormulaC30H32Cl2FN3O4
Molecular Weight588.5
XLogP2.6
Topological Polar Surface Area108
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count40
Formal Charge0
Complexity1000
SMILES
C1CCC2(CC1)[C@@]3([C@H]([C@@H](N2)C(=O)NC4CCC(CC4)C(=O)O)C5=C(C(=CC=C5)Cl)F)C6=C(C=C(C=C6)Cl)NC3=O
InChI
InChI=1S/C30H32Cl2FN3O4/c31-17-9-12-20-22(15-17)35-28(40)30(20)23(19-5-4-6-21(32)24(19)33)25(36-29(30)13-2-1-3-14-29)26(37)34-18-10-7-16(8-11-18)27(38)39/h4-6,9,12,15-16,18,23,25,36H,1-3,7-8,10-11,13-14H2,(H,34,37)(H,35,40)(H,38,39)/t16?,18?,23-,25+,30+/m0/s1
InChIKey
XIKFXEUSDBQREV-SJJRRZJRSA-N
Chemical Structure
2D Structure
2D structure of CID 71020652
CAS: 1410737-39-1
CID: 71020652
Formula: C30H32Cl2FN3O4
MW: 588.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight588.5
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass587.1753901
Monoisotopic Mass587.1753901
Topological Polar Surface Area108 Ų
Heavy Atom Count40
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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