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XI-006

CAT: 0931-T6610-07Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T6610-07Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58131-57-0
Target
P53, Mdm2, MDM-2/p53
Related Pathways
Apoptosis
Purity
0.9951
Bioactivity
XI-006 (XI-006) suppresses MDMX with IC50 of 2.5 μM, leading to enhanced p53 stabilization/activation and DNA damage, and also regulates MDM2, an E3 ligase.
Smiles
CN1CCN(CC1)c1ccc([N+]([O-])=O)c2no[n+]([O-])c12
Molecular Formula
C11H13N5O4
Molecular Weight
279.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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