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UCB-9260

CAT: 1568-C09225-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C09225-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1515888-53-5
SKU
C09225-5mg
Target
TNF-alpha
Applications
Apoptosis
Smiles
C[N]1C=C (C=N1) C2=CC3=C (C=C2) N=C (C (O) C4=CC=NC=C4) [N]3CC5=C (C) C=CC (=C5) C
Molecular Formula
C26H25N5O
Additionnal Information
UCB-9260 is an orally active inhibitor that inhibits TNF signalling by stabilising an asymmetric form of the trimer. UCB-9260 binds TNF with Kd of 13 nM. UCB-9260 also inhibits NF-κB with IC50 of 202 nM after TNF stimulation.
Storage Conditions
3 years -20°C powder

Chemical Information

[1-[(2,5-Dimethylphenyl)methyl]-6-(1-methylpyrazol-4-yl)benzimidazol-2-yl]-pyridin-4-ylmethanol
CAS Number1515888-53-5
PubChem CID72700327
IUPAC Name[1-[(2,5-dimethylphenyl)methyl]-6-(1-methylpyrazol-4-yl)benzimidazol-2-yl]-pyridin-4-ylmethanol
Molecular FormulaC26H25N5O
Molecular Weight423.5
XLogP3.5
Topological Polar Surface Area68.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity613
SMILES
CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C4=CN(N=C4)C)N=C2C(C5=CC=NC=C5)O
InChI
InChI=1S/C26H25N5O/c1-17-4-5-18(2)21(12-17)16-31-24-13-20(22-14-28-30(3)15-22)6-7-23(24)29-26(31)25(32)19-8-10-27-11-9-19/h4-15,25,32H,16H2,1-3H3
InChIKey
RZGFWGNCSYUEPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [1-[(2,5-Dimethylphenyl)methyl]-6-(1-methylpyrazol-4-yl)benzimidazol-2-yl]-pyridin-4-ylmethanol
CAS: 1515888-53-5
CID: 72700327
Formula: C26H25N5O
MW: 423.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass423.20591044
Monoisotopic Mass423.20591044
Topological Polar Surface Area68.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity613
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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