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XI-006

CAT: 0013-GTR19169763-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169763-02Size:2 mg
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Description
XI-006 is a small molecule inhibitor of MDMX (IC50 = 2.5 μM) and modulator of MDM2, which promotes p53 stabilization and activation. This compound is a useful research tool for studying p53 pathway biology, DNA damage response, and cancer mechanisms in both cellular and biochemical assays.
CAS Number
58131-57-0
Product Name Alternative
Inhibitor, MDMX, MDM2, MDM-2/p53, inhibit, LPS, NSC 207895, NSC207895, NSC-207895, p53, XI 006, XI006
Field of Research
Cell Biology
Purity
99.12% (May vary between batches)
Solubility
H2O:< 1 mg/mL (insoluble or slightly soluble) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (7.16 mM) ; Ethanol:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:55 mg/mL (196.96 mM)
Smiles
CN1CCN (CC1) c1ccc ([N+] ([O-]) =O) c2no[n+] ([O-]) c12
Molecular Formula
C11H13N5O4
Molecular Weight
279.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(4-Methyl-1-piperazinyl)-7-nitro-2,1,3-benzoxadiazole 3-oxide
CAS Number58131-57-0
PubChem CID42640
IUPAC Name4-(4-methylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Molecular FormulaC11H13N5O4
Molecular Weight279.25
XLogP1.2
Topological Polar Surface Area104
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity370
SMILES
CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]
InChI
InChI=1S/C11H13N5O4/c1-13-4-6-14(7-5-13)9-3-2-8(15(17)18)10-11(9)16(19)20-12-10/h2-3H,4-7H2,1H3
InChIKey
MWFZDJLPWDCQIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Methyl-1-piperazinyl)-7-nitro-2,1,3-benzoxadiazole 3-oxide
CAS: 58131-57-0
CID: 42640
Formula: C11H13N5O4
MW: 279.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.25
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass279.09675391
Monoisotopic Mass279.09675391
Topological Polar Surface Area104 Ų
Heavy Atom Count20
Formal Charge0
Complexity370
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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