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Edicotinib (JNJ-40346527)

CAT: 0957-S8524-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0957-S8524-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Edicotinib (JNJ-40346527) is a potent, selective, brain penetrant and orally active colony-stimulating factor-1 receptor (CSF-1R) inhibitor with an IC50 of 3.2 nM.
CAS Number
1142363-52-7
Target
CSF-1R
Activity
Protein Tyrosine Kinase
Molecular Formula
C27H35N5O2
Storage Conditions
3 years -20°C powder

Chemical Information

Edicotinib

JNJ-40346527 has been used in trials studying the treatment of Health and Arthritis, Rheumatoid.

CAS Number1142363-52-7
PubChem CID25230468
IUPAC Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
Molecular FormulaC27H35N5O2
Molecular Weight461.6
XLogP4.3
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity838
SMILES
CC1(CCC(=CC1)C2=C(C=CC(=N2)C3CC(OC(C3)(C)C)(C)C)NC(=O)C4=NC=C(N4)C#N)C
InChI
InChI=1S/C27H35N5O2/c1-25(2)11-9-17(10-12-25)22-21(32-24(33)23-29-16-19(15-28)30-23)8-7-20(31-22)18-13-26(3,4)34-27(5,6)14-18/h7-9,16,18H,10-14H2,1-6H3,(H,29,30)(H,32,33)
InChIKey
BNVPFDRNGHMRJS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Edicotinib
CAS: 1142363-52-7
CID: 25230468
Formula: C27H35N5O2
MW: 461.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.6
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass461.27907538
Monoisotopic Mass461.27907538
Topological Polar Surface Area104 Ų
Heavy Atom Count34
Formal Charge0
Complexity838
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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