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RIPK2-IN-8

CAT: 0013-GTR19263926-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263926-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RIPK2-IN-8 is an orally active and highly selective RIPK2 inhibitor with an IC50 of 11 nM. It exhibits greater selectivity for RIPK2 over RIPK1 (IC50 > 30,000 nM) and has moderate inhibitory effects on RIPK3 (IC50 = 44.61 nM) . RIPK2-IN-8 exerts anti-inflammatory effects by inhibiting the NOD2-RIPK2 signaling pathway and the expression of inflammatory cytokines IL-6 and TNFα. Additionally, in models of acute liver injury (ALI), RIPK2-IN-8 demonstrates both anti-inflammatory and hepatoprotective effects, making it useful for ALI research.
CAS Number
3036254-29-9
Field of Research
Cell Biology, Immunology & Inflammation, Signal Transduction
Smiles
O=C (NC1CC=C (C=2SC3=C (N=CN=C3NC4=CC=5N=CSC5C=C4F) C2) CC1) CC
Molecular Formula
C22H20FN5OS2
Molecular Weight
453.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[4-[4-[(6-fluoro-1,3-benzothiazol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]propanamide
CAS Number3036254-29-9
PubChem CID177746360
IUPAC NameN-[4-[4-[(6-fluoro-1,3-benzothiazol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]propanamide
Molecular FormulaC22H20FN5OS2
Molecular Weight453.6
XLogP4.6
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity697
SMILES
CCC(=O)NC1CCC(=CC1)C2=CC3=C(S2)C(=NC=N3)NC4=C(C=C5C(=C4)N=CS5)F
InChI
InChI=1S/C22H20FN5OS2/c1-2-20(29)27-13-5-3-12(4-6-13)18-9-17-21(31-18)22(25-10-24-17)28-15-8-16-19(7-14(15)23)30-11-26-16/h3,7-11,13H,2,4-6H2,1H3,(H,27,29)(H,24,25,28)
InChIKey
NMEHPPLHQJQTBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-[4-[(6-fluoro-1,3-benzothiazol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]propanamide
CAS: 3036254-29-9
CID: 177746360
Formula: C22H20FN5OS2
MW: 453.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.6
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass453.10933079
Monoisotopic Mass453.10933079
Topological Polar Surface Area136 Ų
Heavy Atom Count31
Formal Charge0
Complexity697
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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