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RIPK1-IN-10

CAT: 0804-HY-143728-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-143728-01Size:5 mg
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Description
RIPK1-IN-10 is a potent RIPK1 inhibitor, example 37, extracted from patent WO2021160109[1].
CAS Number
2682889-51-4
UNSPSC
12352005
Target
RIP kinase
Type
Reference compound
Related Pathways
Apoptosis
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/ripk1-in-10.html
Concentration
10mM
Purity
98.25
Solubility
DMSO : 31.25 mg/mL (ultrasonic; warming; heat to 70°C)
Smiles
O=C(C1CC1)NC2=CN3N=C(C4=CC5=C(N=C4)CCN(CC6=CC(F)=CC(F)=C6OC7CCOCC7)C5=O)C=CC3=N2
Molecular Formula
C30H28F2N6O4
Molecular Weight
574.58
References & Citations
[1]Zhou FuSheng, et al. Dihydronaphthyridinone compound, and preparation method therefor and medical use thereof. Patent WO2021160109.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
RIPK1

Chemical Information

Ripk1-IN-10
CAS Number2682889-51-4
PubChem CID156825529
IUPAC NameN-[6-[6-[[3,5-difluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
Molecular FormulaC30H28F2N6O4
Molecular Weight574.6
XLogP2.5
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity985
SMILES
C1CC1C(=O)NC2=CN3C(=N2)C=CC(=N3)C4=CC5=C(CCN(C5=O)CC6=C(C(=CC(=C6)F)F)OC7CCOCC7)N=C4
InChI
InChI=1S/C30H28F2N6O4/c31-20-11-19(28(23(32)13-20)42-21-6-9-41-10-7-21)15-37-8-5-25-22(30(37)40)12-18(14-33-25)24-3-4-27-34-26(16-38(27)36-24)35-29(39)17-1-2-17/h3-4,11-14,16-17,21H,1-2,5-10,15H2,(H,35,39)
InChIKey
WBGCAAAEJQUSDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ripk1-IN-10
CAS: 2682889-51-4
CID: 156825529
Formula: C30H28F2N6O4
MW: 574.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.6
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass574.21400972
Monoisotopic Mass574.21400972
Topological Polar Surface Area111 Ų
Heavy Atom Count42
Formal Charge0
Complexity985
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

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