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AA-115

CAT: 1410-M12798-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M12798-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AA-115 (APG 115) is a potent and orally active MDM2 inhibitor with Ki <1 nM, potently inhibits SJSA-1 cell growth with IC50 of 60 nM.
CAS Number
1818393-16-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
642.593
Molecular Formula
C34H38Cl2FN3O4
Notes
Research use only, not for human use.
Receptor
MDM2-p53

Chemical Information

Alrizomadlin

Alrizomadlin is a novel MDM2 inhibitor that blocks the interaction of MDM2 and p53. It is being investigated in cancers.

CAS Number1818393-16-6
PubChem CID91972012
Molecular FormulaC34H38Cl2FN3O4
Molecular Weight642.6
XLogP3.6
Topological Polar Surface Area98.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count44
Formal Charge0
Complexity1160
SMILES
CCN1[C@H]([C@@H]([C@]2(C13CCCCC3)C4=C(C=C(C=C4)Cl)NC2=O)C5=C(C(=CC=C5)Cl)F)C(=O)NC67CCC(CC6)(CC7)C(=O)O
InChI
InChI=1S/C34H38Cl2FN3O4/c1-2-40-27(28(41)39-32-16-13-31(14-17-32,15-18-32)30(43)44)25(21-7-6-8-23(36)26(21)37)34(33(40)11-4-3-5-12-33)22-10-9-20(35)19-24(22)38-29(34)42/h6-10,19,25,27H,2-5,11-18H2,1H3,(H,38,42)(H,39,41)(H,43,44)/t25-,27+,31?,32?,34+/m0/s1
InChIKey
YJCZPJQGFSSFOL-MNZPCBJKSA-N
Chemical Structure
2D Structure
2D structure of Alrizomadlin
CAS: 1818393-16-6
CID: 91972012
Formula: C34H38Cl2FN3O4
MW: 642.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight642.6
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass641.2223403
Monoisotopic Mass641.2223403
Topological Polar Surface Area98.7 Ų
Heavy Atom Count44
Formal Charge0
Complexity1160
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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