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UCB-5307

CAT: 0013-GTR19187451-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187451-04Size:25 mg
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Description
UCB-5307 is a small molecule inhibitor of TNFR1 signaling that binds human TNFα with high affinity (K_D ~6-9 nM) via slow kinetics and can disrupt pre-formed TNF/TNFR1 complexes. Its utility in exploring TNF-driven pathology makes it a valuable tool for in vitro and in vivo inflammatory disease research.
CAS Number
1515887-44-1
Product Name Alternative
TNF-α
Field of Research
Cell Biology
Purity
98.02% (May vary between batches)
Solubility
DMSO:65 mg/mL (189.27 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.82 mM)
Smiles
Cc1ccc (C) c (Cn2c (nc3ccccc23) C (O) c2ccncc2) c1
Molecular Formula
C22H21N3O
Molecular Weight
343.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 90033751
CAS Number1515887-44-1
PubChem CID90033751
IUPAC Name[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-pyridin-4-ylmethanol
Molecular FormulaC22H21N3O
Molecular Weight343.4
XLogP3.5
Topological Polar Surface Area50.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity453
SMILES
CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3N=C2C(C4=CC=NC=C4)O
InChI
InChI=1S/C22H21N3O/c1-15-7-8-16(2)18(13-15)14-25-20-6-4-3-5-19(20)24-22(25)21(26)17-9-11-23-12-10-17/h3-13,21,26H,14H2,1-2H3
InChIKey
MKABLXAUPLCAHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 90033751
CAS: 1515887-44-1
CID: 90033751
Formula: C22H21N3O
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass343.168462302
Monoisotopic Mass343.168462302
Topological Polar Surface Area50.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity453
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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