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HOIPIN-8

CAT: 0957-E1798-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E1798-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HOIPIN-8, is a potent inhibitor of linear ubiquitin chain assembly complex (LUBAC) and NF-κB signaling with an IC50 value of 11 nM. It serves as a powerful tool for investigating the physiological and cellular functions of LUBAC.
CAS Number
2519537-70-1
Target
Others
Activity
Others
Molecular Formula
C23H15F2N4NaO3

Chemical Information

Hoipin-8
CAS Number2519537-70-1
PubChem CID146018039
IUPAC Namesodium 2-[(E)-3-[2,6-difluoro-4-(1H-pyrazol-4-yl)phenyl]-3-oxoprop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoate
Molecular FormulaC23H15F2N4NaO3
Molecular Weight456.4
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity718
SMILES
CN1C=C(C=N1)C2=CC(=C(C=C2)C(=O)[O-])/C=C/C(=O)C3=C(C=C(C=C3F)C4=CNN=C4)F.[Na+]
InChI
InChI=1S/C23H16F2N4O3.Na/c1-29-12-17(11-28-29)13-2-4-18(23(31)32)14(6-13)3-5-21(30)22-19(24)7-15(8-20(22)25)16-9-26-27-10-16;/h2-12H,1H3,(H,26,27)(H,31,32);/q;+1/p-1/b5-3+;
InChIKey
DLJPWYFLGYVMKV-WGCWOXMQSA-M
Chemical Structure
2D Structure
2D structure of Hoipin-8
CAS: 2519537-70-1
CID: 146018039
Formula: C23H15F2N4NaO3
MW: 456.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass456.10099096
Monoisotopic Mass456.10099096
Topological Polar Surface Area104 Ų
Heavy Atom Count33
Formal Charge0
Complexity718
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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