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629664-81-9,MFCD13181507
Catalog No.:AA00ECC7

629664-81-9 | ISOPROPYL 3-(3,4-DIFLUOROBENZOYL)-1,1-DIMETHYL-1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98+%
in stock  
$6.00   $4.00
- +
5mg
98+%
in stock  
$12.00   $8.00
- +
10mg
98+%
in stock  
$18.00   $13.00
- +
25mg
98+%
in stock  
$35.00   $25.00
- +
50mg
98+%
in stock  
$58.00   $41.00
- +
100mg
98+%
in stock  
$97.00   $68.00
- +
250mg
95%
in stock  
$204.00   $143.00
- +
1g
95%
in stock  
$684.00   $479.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00ECC7
Chemical Name:
ISOPROPYL 3-(3,4-DIFLUOROBENZOYL)-1,1-DIMETHYL-1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE
CAS Number:
629664-81-9
Molecular Formula:
C25H24F2N2O3
Molecular Weight:
438.4665
MDL Number:
MFCD13181507
SMILES:
CC(OC(=O)C1=CN(CC(c2c1[nH]c1c2cccc1)(C)C)C(=O)c1ccc(c(c1)F)F)C
Properties
Computed Properties
 
Complexity:
768  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
5.1  

Literature

Title: Identification of potent Yes1 kinase inhibitors using a library screening approach.

Journal: Bioorganic & medicinal chemistry letters 20130801

Title: Synthetic farnesoid X receptor agonists induce high-density lipoprotein-mediated transhepatic cholesterol efflux in mice and monkeys and prevent atherosclerosis in cholesteryl ester transfer protein transgenic low-density lipoprotein receptor (-/-) mice.

Journal: The Journal of pharmacology and experimental therapeutics 20121201

Title: [Progress in the ligands and their complex structures of farnesoid X receptor].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica 20120601

Title: Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties.

Journal: Bioorganic & medicinal chemistry letters 20110215

Title: Improvement of physiochemical properties of the tetrahydroazepinoindole series of farnesoid X receptor (FXR) agonists: beneficial modulation of lipids in primates.

Journal: Journal of medicinal chemistry 20100225

Title: Farnesoid X receptor agonist WAY-362450 attenuates liver inflammation and fibrosis in murine model of non-alcoholic steatohepatitis.

Journal: Journal of hepatology 20090801

Title: Activation of farnesoid X receptor prevents atherosclerotic lesion formation in LDLR-/- and apoE-/- mice.

Journal: Journal of lipid research 20090601

Title: A synthetic farnesoid X receptor (FXR) agonist promotes cholesterol lowering in models of dyslipidemia.

Journal: American journal of physiology. Gastrointestinal and liver physiology 20090301

Title: Discovery of XL335 (WAY-362450), a highly potent, selective, and orally active agonist of the farnesoid X receptor (FXR).

Journal: Journal of medicinal chemistry 20090226

Title: Flatt B, et al. Discovery of XL335 (WAY-362450), a highly potent, selective, and orally active agonist of the farnesoid X receptor (FXR). J Med Chem. 2009 Feb 26;52(4):904-7.

Title: Evans MJ, et al. A synthetic farnesoid X receptor (FXR) agonist promotes cholesterol lowering in models of dyslipidemia. Am J Physiol Gastrointest Liver Physiol. 2009 Mar;296(3):G543-52.

Title: Hartman HB, et al. Activation of farnesoid X receptor prevents atherosclerotic lesion formation in LDLR-/- and apoE-/- mice. J Lipid Res. 2009 Jun;50(6):1090-100.

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Tags:629664-81-9 Molecular Formula|629664-81-9 MDL|629664-81-9 SMILES|629664-81-9 ISOPROPYL 3-(3,4-DIFLUOROBENZOYL)-1,1-DIMETHYL-1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE