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Ticolubant

CAT: 0931-T28974-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T28974-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
154413-61-3
Target
Leukotriene Receptor, Calcium Channel, LTR
Related Pathways
Membrane transporter/Ion channel, GPCR/G Protein, Immunology/Inflammation, Metabolism
Purity
0.9959
Bioactivity
Ticolubant is orally active leukotriene B4 antagonist with high affinity for the human neutrophil LTB4 receptor (Ki = 0.78 nM), blocks LTB4-induced Ca2+ migration with an IC50 of 6.6 ± 1.5 nM, and shows topical anti-inflammatory activity in a mouse model of skin inflammation.
Smiles
C(=C/C(O)=O)\C1=C(OCCC2=CC=CC=C2)C=CC(CSC3=C(Cl)C=CC=C3Cl)=N1
Molecular Formula
C23H19Cl2NO3S
Molecular Weight
460.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ticolubant

Ticolubant is a small molecule drug. The usage of the INN stem '-lubant' in the name indicates that Ticolubant is a leukotriene B4​ receptor antagonist. Ticolubant has a monoisotopic molecular weight of 459.05 Da.

CAS Number154413-61-3
PubChem CID6441619
IUPAC Name(E)-3-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-3-(2-phenylethoxy)-2-pyridinyl]prop-2-enoic acid
Molecular FormulaC23H19Cl2NO3S
Molecular Weight460.4
XLogP6.1
Topological Polar Surface Area84.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity549
SMILES
C1=CC=C(C=C1)CCOC2=C(N=C(C=C2)CSC3=C(C=CC=C3Cl)Cl)/C=C/C(=O)O
InChI
InChI=1S/C23H19Cl2NO3S/c24-18-7-4-8-19(25)23(18)30-15-17-9-11-21(20(26-17)10-12-22(27)28)29-14-13-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,27,28)/b12-10+
InChIKey
ZJLFOOWTDISDIO-ZRDIBKRKSA-N
Chemical Structure
2D Structure
2D structure of Ticolubant
CAS: 154413-61-3
CID: 6441619
Formula: C23H19Cl2NO3S
MW: 460.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.4
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass459.0462700
Monoisotopic Mass459.0462700
Topological Polar Surface Area84.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity549
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M34447-01Ticolubant

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