Kd3010
Basic information
- CAS
934760-90-4- Standard SMILES
C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)C[C@H](C)N1S(=O)(=O)c1cccc2c1CC(C(=O)O)C2.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
SUTQDFLDQUPTKX-QVLMFNNZSA-N- Molecular formula
- C30H33F3N2O8S2
- Average molar mass
- 670.7 g/mol
- Monoisotopic mass
- 670.16304285
Overview
KD3010 is a small molecule peroxisome proliferator-activator receptor delta (PPAR Delta) agonist for the treatment of metabolic disorders, including obesity.
Names & identifiers
- Preferred name
- Kd3010
- IUPAC
- 4-[(2S,6R)-2,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-2-carboxylic acid;4-methylbenzenesulfonic acid
- English name
- Compound KD3010 TOSYLATE
- Molecular formula
- C23H25F3N2O5S.C7H8O3S
- Molecular weight
- 670.72
Names & synonyms
934760-90-4KD3010RefChem:1510724-methylbenzene-1-sulfonic acid; 4-(((2R,6S)-2,6-dimethyl-4-(4-(trifluoromethoxy)phenyl)piperazin-1-yl)sulfonyl)-2,3-dihydro-1H-indene-2-carboxylic acid4-[cis-2,6-dimethyl-4-(4-trifluoromethoxy-phenyl)-piperazine-1-sulfonyl]-indan-2-carboxylic acid tosylate4-(((2R,6S)-2,6-Dimethyl-4-(4-(trifluoromethoxy)phenyl)piperazin-1-yl)sulfonyl)-2,3-dihydro-1H-indene-2-carboxylic acid compound with 4-methylbenzenesulfonic acid (1:1)SUTQDFLDQUPTKX-QVLMFNNZSA-NKD3010 tosylateorb1741178SCHEMBL1471002DB05188T68302
Show more names
4-(((2R,6S)-2,6-Dimethyl-4-(4-(trifluoromethoxy)phenyl)piperazin-1-yl)sulfonyl)-2,3-dihydro-1H-indene-2-carboxylicacidcompoundwith4-methylbenzenesulfonicacid(1:1)4-[(2R,6S)-2,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-2-carboxylic acid;4-methylbenzenesulfonic acid
Properties
Computed structural properties
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,030
Chemistry & industry
Pharmacology
Pharmacodynamics
By activating PPAR Delta, which regulates lipid catabolism and energy utilization in peripheral tissues, KD3010 is designed to address the underlying metabolic derangement of these disorders. KD3010 results in significant reduction of central adiposity, atherogenic lipid profiles, and improved glucose utilization/insulin sensitivity.
Mechanism of Action
KD3010 is a potent, orally administered, peroxisome proliferator-activated receptor-delta (PPARδ) agonist that exhibits ~1000-fold selectivity over PPARγ and PPARα. PPARδ regulates lipid catabolism and energy utilization in peripheral tissues. Activation of PPARδ reduces central adiposity, improves atherogenic lipid profiles, and increases glucose utilization/insulin sensitivity.
Applications
DescriptionKD-3010 is a peroxisome proliferator-activated receptor delta agonist potentially for the treatment of diabetes and obesity. KD-3010 dramatically ameliorates liver injury induced by carbon tetrachloride (CCl(4)) injections. Deposition of extracellular matrix proteins was lower in the KD3010-treated group than in the vehicle- or GW501516-treated group. Interestingly, profibrogenic connective tissue growth factor was induced significantly by GW501516, but not by KD-3010, following CCl(4) treatment.
Related reactions
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Compound notes
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