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GLPG3312

CAT: 0931-T86509-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T86509-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2340388-72-7
Target
Bcr-Abl, TGF-beta/Smad, RIP kinase, Src, SIK, LIM Kinase, Discoidin Domain Receptor (DDR), MAPK
Related Pathways
Apoptosis, PI3K/Akt/mTOR signaling, NF-κB, Cell Cycle/Checkpoint, Angiogenesis, Stem Cells, MAPK, Cytoskeletal Signaling, Tyrosine Kinase/Adaptors
Purity
0.9853
Bioactivity
GLPG3312 is a selective and potent pan-SIK inhibitor with the advantage of oral activity, with IC50=0.6-2.0 nM for SIK1, SIK2 and SIK3, and exhibits anti-inflammatory and immunomodulatory activity in both human primary myeloid cells and mouse models.
Smiles
O=C(NC1CC1)C2=C(OC)C=C(C=C2OC(F)F)N3C=NC=4C=C(C=CC43)C=5C=NN(C5)C
Molecular Formula
C23H21F2N5O3
Molecular Weight
453.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide
CAS Number2340388-72-7
PubChem CID151447433
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide
Molecular FormulaC23H21F2N5O3
Molecular Weight453.4
XLogP3.8
Topological Polar Surface Area83.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity699
SMILES
CN1C=C(C=N1)C2=CC3=C(C=C2)N(C=N3)C4=CC(=C(C(=C4)OC(F)F)C(=O)NC5CC5)OC
InChI
InChI=1S/C23H21F2N5O3/c1-29-11-14(10-27-29)13-3-6-18-17(7-13)26-12-30(18)16-8-19(32-2)21(20(9-16)33-23(24)25)22(31)28-15-4-5-15/h3,6-12,15,23H,4-5H2,1-2H3,(H,28,31)
InChIKey
PFTXFNSHFZLJNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide
CAS: 2340388-72-7
CID: 151447433
Formula: C23H21F2N5O3
MW: 453.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.4
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass453.16124587
Monoisotopic Mass453.16124587
Topological Polar Surface Area83.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity699
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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CatalogName
E5798-25mgGLPG3312

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