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LT-188A

CAT: 0804-HY-173466Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-173466Size:1 Each
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Description
LT-188A is a potent TGR5 agonist with an EC50 of 23 μM. LT-188A decreases the levels of inflammatory mediators in macrophages[1].
CAS Number
2922530-99-0
UNSPSC
12352005
Target
G protein-coupled Bile Acid Receptor 1
Related Pathways
GPCR/G Protein
Field of Research
Metabolic Disease; Inflammation/Immunology
Smiles
COC1=C(OC)C=C(C[C@H]2CO[C@H](C3=CC(OC)=C(OC)C=C3)[C@H]2CCOC(/C(C)=C\C)=O)C=C1
Molecular Formula
C28H36O7
Molecular Weight
484.58
References & Citations
[1]Perhal AF, et al. dentification and Characterization of a Leoligin-Inspired Synthetic Lignan as a TGR5 Agonist. J Nat Prod. 2025 Apr 25;88 (4) :985-995.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-[(2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]ethyl (Z)-2-methylbut-2-enoate
CAS Number2922530-99-0
PubChem CID177823011
IUPAC Name2-[(2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]ethyl (Z)-2-methylbut-2-enoate
Molecular FormulaC28H36O7
Molecular Weight484.6
XLogP5.2
Topological Polar Surface Area72.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count35
Formal Charge0
Complexity680
SMILES
C/C=C(/C)\C(=O)OCC[C@H]1[C@H](CO[C@@H]1C2=CC(=C(C=C2)OC)OC)CC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C28H36O7/c1-7-18(2)28(29)34-13-12-22-21(14-19-8-10-23(30-3)25(15-19)32-5)17-35-27(22)20-9-11-24(31-4)26(16-20)33-6/h7-11,15-16,21-22,27H,12-14,17H2,1-6H3/b18-7-/t21-,22-,27+/m0/s1
InChIKey
YJCVWULTWNWAGN-FFIXYPTJSA-N
Chemical Structure
2D Structure
2D structure of 2-[(2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]ethyl (Z)-2-methylbut-2-enoate
CAS: 2922530-99-0
CID: 177823011
Formula: C28H36O7
MW: 484.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.6
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass484.24610348
Monoisotopic Mass484.24610348
Topological Polar Surface Area72.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity680
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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