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PK68

CAT: 0931-T12493-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T12493-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2173556-69-7
Target
RIP kinase
Related Pathways
NF-κB, Apoptosis
Purity
0.9964
Bioactivity
PK68 is an effective and selective inhibitor of type II receptor-interacting kinase 1 (RIPK1, IC50 = 90 nM) . PK68 can be used for research on the treatment of inflammatory disorders and cancer metastasis.
Smiles
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(C)c(NC(=O)OC2CCCCC2)c1
Molecular Formula
C22H24N4O3S
Molecular Weight
424.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpyridin-3-yl]carbamate
CAS Number2173556-69-7
PubChem CID134203923
IUPAC Namecyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate
Molecular FormulaC22H24N4O3S
Molecular Weight424.5
XLogP4.2
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity615
SMILES
CC1=C(C=C(C=N1)C2=CC3=C(C=C2)N=C(S3)NC(=O)C)NC(=O)OC4CCCCC4
InChI
InChI=1S/C22H24N4O3S/c1-13-19(26-22(28)29-17-6-4-3-5-7-17)10-16(12-23-13)15-8-9-18-20(11-15)30-21(25-18)24-14(2)27/h8-12,17H,3-7H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKey
DRCNWQYEKZTTEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpyridin-3-yl]carbamate
CAS: 2173556-69-7
CID: 134203923
Formula: C22H24N4O3S
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass424.15691181
Monoisotopic Mass424.15691181
Topological Polar Surface Area121 Ų
Heavy Atom Count30
Formal Charge0
Complexity615
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

Alternative Products

CatalogName
BA3504-25PK68
A18582-10PK68 10mg
A18582-500PK68 500mg
A18582-5PK68 5mg
A18582-100PK68 100mg
A18582-50PK68 50mg
A18582-25PK68 25mg
A18582-1PK68 1mg
A18582-10mM-DPK68 10mM * 1mL in DMSO

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