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HS-276

CAT: 0931-T62209-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62209-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2767422-72-8
Target
IRAK, Casein Kinase, MAPK, TNF
Related Pathways
Stem Cells, Metabolism, Apoptosis, NF-κB, Immunology/Inflammation, MAPK
Purity
0.9881
Bioactivity
HS-276 is a highly selective, orally active inhibitor of TAK1 (Ki: 2.5 nM) . HS-276 significantly inhibits TAK1 (IC50: 8.25 nM), CLK2 (IC50: 29 nM), GCK (IC50: 22 nM), ULK2 (IC50: 63 nM), MAP4K5 (IC50. HS-276 can be used to study rheumatoid arthritis (RA) .
Smiles
C(CC)N1C=2C(N=C1NC(=O)C3=CC(C(N)=O)=CC=C3)=CC=C(CN4CCCCC4)C2
Molecular Formula
C24H29N5O2
Molecular Weight
419.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(6-(Piperidin-1-ylmethyl)-1-propyl-1H-benzo[d]imidazol-2-yl)isophthalamide
CAS Number2767422-72-8
PubChem CID164517032
IUPAC Name3-N-[6-(piperidin-1-ylmethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide
Molecular FormulaC24H29N5O2
Molecular Weight419.5
XLogP3
Topological Polar Surface Area93.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity623
SMILES
CCCN1C2=C(C=CC(=C2)CN3CCCCC3)N=C1NC(=O)C4=CC=CC(=C4)C(=O)N
InChI
InChI=1S/C24H29N5O2/c1-2-11-29-21-14-17(16-28-12-4-3-5-13-28)9-10-20(21)26-24(29)27-23(31)19-8-6-7-18(15-19)22(25)30/h6-10,14-15H,2-5,11-13,16H2,1H3,(H2,25,30)(H,26,27,31)
InChIKey
NPEMHKSMWPZEOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(6-(Piperidin-1-ylmethyl)-1-propyl-1H-benzo[d]imidazol-2-yl)isophthalamide
CAS: 2767422-72-8
CID: 164517032
Formula: C24H29N5O2
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass419.23212518
Monoisotopic Mass419.23212518
Topological Polar Surface Area93.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity623
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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BA3525-25HS-276
A24017-5HS-276 5mg
A24017-100HS-276 100mg
A24017-50HS-276 50mg
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