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MI-1063

CAT: 0013-GTR19241247-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241247-02Size:50 mg
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Description
MI-1063 is a potent and cell-permeable MDM2 antagonist that disrupts the MDM2-p53 interaction, leading to p53 activation and tumor suppression. It demonstrates anti-proliferative activity in hematological cancer cell lines (e.g., RS4-11, MV4-11) and serves as the warhead for the PROTAC degrader MD-265 in oncology research.
CAS Number
1410737-39-1
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C1[C@@]2 (C3 (N[C@@H] (C (N[C@H]4CC[C@H] (C (O) =O) CC4) =O) [C@@H]2C5=C (F) C (Cl) =CC=C5) CCCCC3) C=6C (N1) =CC (Cl) =CC6
Molecular Formula
C30H32Cl2FN3O4
Molecular Weight
588.5
Storage Conditions
-20°C
Notes
For research use only.

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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