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WB403

CAT: 0931-T29154-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T29154-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1594041-84-5
Target
Others, GPCR19
Related Pathways
Others, GPCR/G Protein
Bioactivity
WB403 is a TGR5 activator. WB403 significantly decreases fasting blood glucose, postprandial blood glucose and HbA1c, improves glucose tolerance in type 2 diabetic mice. WB403 increases pancreatic β-cells and restores the normal distribution pattern of α-cell and β-cell in islets.
Smiles
C(OCC1=CC=C(Br)C=C1)C=2SC(=NC2C)C=3C=C(CC)N=CC3
Molecular Formula
C19H19BrN2OS
Molecular Weight
403.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-[(4-Bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole
CAS Number1594041-84-5
PubChem CID86301970
IUPAC Name5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole
Molecular FormulaC19H19BrN2OS
Molecular Weight403.3
XLogP4.6
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity378
SMILES
CCC1=NC=CC(=C1)C2=NC(=C(S2)COCC3=CC=C(C=C3)Br)C
InChI
InChI=1S/C19H19BrN2OS/c1-3-17-10-15(8-9-21-17)19-22-13(2)18(24-19)12-23-11-14-4-6-16(20)7-5-14/h4-10H,3,11-12H2,1-2H3
InChIKey
NYKBJEUCSJOODJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[(4-Bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole
CAS: 1594041-84-5
CID: 86301970
Formula: C19H19BrN2OS
MW: 403.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight403.3
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass402.04015
Monoisotopic Mass402.04015
Topological Polar Surface Area63.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity378
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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