Products for Research Use Only

TP-051

CAT: 0931-T68535-04Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T68535-04Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
858097-86-6
Target
GPCR
Related Pathways
Endocrinology/Hormones, GPCR/G Protein
Purity
0.9996
Bioactivity
TP-051 is a potent and selective FFAR1 agonist exhibiting a Ki of 16 nM for human FFAR1, with demonstrated ability to enhance insulin secretion in rat insulinoma cells. TP-051 is widely used as a chemical probe for studying free-fatty-acid receptor-mediated pathways in type 2 diabetes and metabolic research.
Smiles
O=C(O)CCC1=CC=C(OCC2=CC=CC(=C2)C3=C(C=C(OC4CCS(=O)(=O)CC4)C=C3C)C)C=C1F
Molecular Formula
C29H31FO6S
Molecular Weight
526.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-[4-[[3-[4-(1,1-Dioxothian-4-yl)oxy-2,6-dimethylphenyl]phenyl]methoxy]-2-fluorophenyl]propanoic acid
CAS Number858097-86-6
PubChem CID11203294
IUPAC Name3-[4-[[3-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]phenyl]methoxy]-2-fluorophenyl]propanoic acid
Molecular FormulaC29H31FO6S
Molecular Weight526.6
XLogP5.5
Topological Polar Surface Area98.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity818
SMILES
CC1=CC(=CC(=C1C2=CC=CC(=C2)COC3=CC(=C(C=C3)CCC(=O)O)F)C)OC4CCS(=O)(=O)CC4
InChI
InChI=1S/C29H31FO6S/c1-19-14-26(36-24-10-12-37(33,34)13-11-24)15-20(2)29(19)23-5-3-4-21(16-23)18-35-25-8-6-22(27(30)17-25)7-9-28(31)32/h3-6,8,14-17,24H,7,9-13,18H2,1-2H3,(H,31,32)
InChIKey
RPAHCZZXEGWBDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[4-[[3-[4-(1,1-Dioxothian-4-yl)oxy-2,6-dimethylphenyl]phenyl]methoxy]-2-fluorophenyl]propanoic acid
CAS: 858097-86-6
CID: 11203294
Formula: C29H31FO6S
MW: 526.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight526.6
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass526.18253804
Monoisotopic Mass526.18253804
Topological Polar Surface Area98.3 Ų
Heavy Atom Count37
Formal Charge0
Complexity818
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