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HOIPIN-8

CAT: 1568-C01880-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01880-01Size:5 mg
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CAS Number
2519537-70-1
SKU
C01880-5mg
Target
Others
Applications
Others
Additionnal Information
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.

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...
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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