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Brigimadlin

CAT: 0957-E1491-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E1491-02Size:5 mg
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Description
Brigimadlin (BI 907828) is a potent, orally active inhibitor of E3 ubiquitin-protein ligase MDM-2. Brigimadlin inhibits MDM-2's suppression of the tumor suppressor p53. It promotes apoptosis and enhances the transcription of p53 targets such as p21 and PUMA in BT48, BT67, and BT73 cells.
CAS Number
2095116-40-6
Synonyms
BI 907828
Target
MDM2/MDMX
Activity
Apoptosis
Molecular Formula
C31H25Cl2FN4O3

Chemical Information

Brigimadlin

Brigimadlin is an orally available inhibitor of murine double minute 2 (MDM2), with potential antineoplastic activity. Upon oral administration, brigimadlin binds to MDM2 protein and prevents its binding to the transcriptional activation domain of the tumor suppressor protein p53. By preventing MDM2-p53 interaction, the transcriptional activity of p53 is restored. This leads to p53-mediated induction of tumor cell apoptosis. Compared to currently available MDM2 inhibitors, the pharmacokinetic properties of BI 907828 allow for more optimal dosing and dose schedules that may reduce myelosuppression, an on-target, dose-limiting toxicity for this class of inhibitors.

CAS Number2095116-40-6
PubChem CID129264140
IUPAC Name(3S,10'S,11'S,14'S)-6-chloro-11'-(3-chloro-2-fluorophenyl)-13'-(cyclopropylmethyl)-6'-methyl-2-oxospiro[1H-indole-3,12'-8,9,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1,3,5,7-tetraene]-5'-carboxylic acid
Molecular FormulaC31H25Cl2FN4O3
Molecular Weight591.5
XLogP3.4
Topological Polar Surface Area87.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count41
Formal Charge0
Complexity1100
SMILES
CC1=C(C=CC2=C3C[C@H]4[C@@H](N3N=C12)[C@@H]([C@]5(N4CC6CC6)C7=C(C=C(C=C7)Cl)NC5=O)C8=C(C(=CC=C8)Cl)F)C(=O)O
InChI
InChI=1S/C31H25Cl2FN4O3/c1-14-17(29(39)40)8-9-18-23-12-24-28(38(23)36-27(14)18)25(19-3-2-4-21(33)26(19)34)31(37(24)13-15-5-6-15)20-10-7-16(32)11-22(20)35-30(31)41/h2-4,7-11,15,24-25,28H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t24-,25-,28+,31+/m0/s1
InChIKey
AMTXDBGKYPDTTA-SJVQGLCSSA-N
Chemical Structure
2D Structure
2D structure of Brigimadlin
CAS: 2095116-40-6
CID: 129264140
Formula: C31H25Cl2FN4O3
MW: 591.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight591.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass590.1287742
Monoisotopic Mass590.1287742
Topological Polar Surface Area87.5 Ų
Heavy Atom Count41
Formal Charge0
Complexity1100
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

Alternative Products

CatalogName
C01703-100mgBrigimadlin
HY-152859A-01Brigimadlin enantiomer
HY-W598456Brigimadlin intermediate-1

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