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RIPK1-IN-24

CAT: 0804-HY-162880Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-162880Size:1 Each
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Description
RIPK1-IN-24 is a receptor-interacting protein kinase 1 (RIPK1) inhibitor with an IC50 value of 1.3 μM. RIPK1-IN-24 can be used for research on inflammatory diseases[1].
CAS Number
1358585-26-8
UNSPSC
12352211
Target
RIP kinase
Type
Reference compound
Related Pathways
Apoptosis
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/ripk1-in-24.html
Smiles
O=C(NC1=CC=C(CN2C=NC(C3=NC(C4=CC=CC(F)=C4)=NO3)=C2)C=C1)NCC5=CC=CC=C5
Molecular Formula
C26H21FN6O2
Molecular Weight
468.48
References & Citations
[1]Yu Y, et al. Discovery of 5- (1-benzyl-1H-imidazol-4-yl) -1,2,4-oxadiazole derivatives as novel RIPK1 inhibitors via structure-based virtual screening. Drug Dev Res. 2024 Aug;85 (5) :e22235.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ripk1-IN-24
CAS Number1358585-26-8
PubChem CID53058604
IUPAC Name1-benzyl-3-[4-[[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]urea
Molecular FormulaC26H21FN6O2
Molecular Weight468.5
XLogP3.8
Topological Polar Surface Area97.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity672
SMILES
C1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)CN3C=C(N=C3)C4=NC(=NO4)C5=CC(=CC=C5)F
InChI
InChI=1S/C26H21FN6O2/c27-21-8-4-7-20(13-21)24-31-25(35-32-24)23-16-33(17-29-23)15-19-9-11-22(12-10-19)30-26(34)28-14-18-5-2-1-3-6-18/h1-13,16-17H,14-15H2,(H2,28,30,34)
InChIKey
GAAPZZARMRAUGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ripk1-IN-24
CAS: 1358585-26-8
CID: 53058604
Formula: C26H21FN6O2
MW: 468.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight468.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass468.17100210
Monoisotopic Mass468.17100210
Topological Polar Surface Area97.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity672
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