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NucPE1

CAT: 0931-T19042-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T19042-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1404091-23-1
Target
Others, ROS, Reactive Oxygen Species
Related Pathways
Others, Metabolism, NF-κB, Immunology/Inflammation
Bioactivity
NucPE1, a nuclear-localized fluorescent hydrogen peroxide, is specifically localized to cellular nuclei without appended targeting moieties.
Smiles
CCNc1cc2Oc3cc(ccc3C3(OC(=O)c4ccccc34)c2cc1C)B1OC(C)(C)C(C)(C)O1
Molecular Formula
C29H30BNO5
Molecular Weight
483.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

NucPE1
CAS Number1404091-23-1
PubChem CID129626434
IUPAC Name3'-(ethylamino)-2'-methyl-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular FormulaC29H30BNO5
Molecular Weight483.4
Topological Polar Surface Area66
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count36
Formal Charge0
Complexity849
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4(C5=CC=CC=C5C(=O)O4)C6=C(O3)C=C(C(=C6)C)NCC
InChI
InChI=1S/C29H30BNO5/c1-7-31-23-16-25-22(14-17(23)2)29(20-11-9-8-10-19(20)26(32)34-29)21-13-12-18(15-24(21)33-25)30-35-27(3,4)28(5,6)36-30/h8-16,31H,7H2,1-6H3
InChIKey
GHPDUBPWQBBRPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NucPE1
CAS: 1404091-23-1
CID: 129626434
Formula: C29H30BNO5
MW: 483.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass483.2217032
Monoisotopic Mass483.2217032
Topological Polar Surface Area66 Ų
Heavy Atom Count36
Formal Charge0
Complexity849
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A19964-5NucPE1 5mg

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