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HOIPIN-8

CAT: 0804-HY-122882-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-122882-01Size:5 mg
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Description
HOIPIN-8 is a potent inhibitor of linear ubiquitin chain assembly complex (LUBAC) with an IC50 of 11 nM. HOIPIN-8 is a HOIPIN-1 derivative with enhanced the potency by 255-fold in the petit-LUBAC inhibition, and 10-fold and 4-fold in the LUBAC- and TNF-α-mediated NF-κB activation, respectively than HOIPIN-1. HOIPIN-1 is a promising tool to explore the cellular functions of LUBAC[1].
CAS Number
2519537-70-1
UNSPSC
12352005
Target
E1/E2/E3 Enzyme
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/hoipin-8.html
Purity
99.89
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(O[Na])C1=CC=C(C2=CN(C)N=C2)C=C1/C=C/C(C3=C(F)C=C(C4=CNN=C4)C=C3F)=O
Molecular Formula
C23H15F2N4NaO3
Molecular Weight
456.38
References & Citations
[1]Ken Katsuya, et al. Small-molecule Inhibitors of Linear Ubiquitin Chain Assembly Complex (LUBAC), HOIPINs, Suppress NF-κB Signaling. Biochem Biophys Res Commun. 2019 Feb 12;509 (3) :700-706.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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