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LASSBio-1135

CAT: 0931-T8440-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T8440-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
852453-71-5
Target
TRP/TRPV Channel, TNF
Related Pathways
Membrane transporter/Ion channel, Apoptosis
Purity
0.9909
Bioactivity
LASSBio-1135 is an orally effective antagonist of TRPV1 and inhibitor of TNF-α production.
Smiles
N(C1=C(N=C2N1C=CC=C2)C3=CC=CC=N3)C4=CC=CC=C4
Molecular Formula
C18H14N4
Molecular Weight
286.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LASSBio-1135
CAS Number852453-71-5
PubChem CID4460526
IUPAC NameN-phenyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
Molecular FormulaC18H14N4
Molecular Weight286.3
XLogP4.3
Topological Polar Surface Area42.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity355
SMILES
C1=CC=C(C=C1)NC2=C(N=C3N2C=CC=C3)C4=CC=CC=N4
InChI
InChI=1S/C18H14N4/c1-2-8-14(9-3-1)20-18-17(15-10-4-6-12-19-15)21-16-11-5-7-13-22(16)18/h1-13,20H
InChIKey
ULQALHCOPZRDMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LASSBio-1135
CAS: 852453-71-5
CID: 4460526
Formula: C18H14N4
MW: 286.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight286.3
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass286.121846464
Monoisotopic Mass286.121846464
Topological Polar Surface Area42.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity355
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