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Sepin-1

CAT: 1410-M27925-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M27925-02Size:5 mg
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Description
Sepin-1 is a noncompetitive inhibitor of separase with an IC50 of 14.8 µM. Sepin-1 can inhibit the growth of breast cancer xenograft tumors in mice and human cancer cell lines by inhibiting cell proliferation and inducing apoptosis.
CAS Number
163126-81-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
223.188
Molecular Formula
C9H9N3O4
Notes
Research use only, not for human use.
Receptor
Endogenous Metabolite

Chemical Information

2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide
CAS Number163126-81-6
PubChem CID2736269
IUPAC Name2,2-dimethyl-5-nitro-3-oxidobenzimidazol-1-ium 1-oxide
Molecular FormulaC9H9N3O4
Molecular Weight223.19
XLogP1
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity338
SMILES
CC1(N(C2=C([N+]1=O)C=CC(=C2)[N+](=O)[O-])[O-])C
InChI
InChI=1S/C9H9N3O4/c1-9(2)10(13)7-4-3-6(12(15)16)5-8(7)11(9)14/h3-5H,1-2H3
InChIKey
YLVSVJDCTDBERH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide
CAS: 163126-81-6
CID: 2736269
Formula: C9H9N3O4
MW: 223.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.19
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass223.05930578
Monoisotopic Mass223.05930578
Topological Polar Surface Area92.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity338
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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Alternative Products

CatalogName
BA4502-5Sepin-1
OF59775-011,1,1,1,1-Kestoheptaose
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1120401,1,1,1-Kestohexose

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