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Home Other Building Blocks 1-Piperidinecarboxamide, N-3-pyridazinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylene]-

1-Piperidinecarboxamide, N-3-pyridazinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylene]-

CAS No.:
1020315-31-4
Catalog Number:
AG0006EM
Molecular Formula:
C23H20F3N5O2
Molecular Weight:
455.4324
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$136
- +
10mg
98%(HPLC)
In Stock USA
United States
$203
- +
25mg
98%(HPLC)
In Stock USA
United States
$386
- +
50mg
98%(HPLC)
In Stock USA
United States
$686
- +
Product Description
Catalog Number:
AG0006EM
Chemical Name:
1-Piperidinecarboxamide, N-3-pyridazinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylene]-
CAS Number:
1020315-31-4
Molecular Formula:
C23H20F3N5O2
Molecular Weight:
455.4324
MDL Number:
MFCD18782721
IUPAC Name:
N-pyridazin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]piperidine-1-carboxamide
InChI:
InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)
InChI Key:
BATCTBJIJJEPHM-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(=Cc2cccc(c2)Oc2ccc(cn2)C(F)(F)F)CC1)Nc1cccnn1
UNII:
H4C81M8YYW
Properties
Complexity:
680  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.157g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
455.441g/mol
Monoisotopic Mass:
455.157g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Activity-based protein profiling reveals off-target proteins of the FAAH inhibitor BIA 10-2474. Science (New York, N.Y.) 20170609
Inhibition of fatty acid amide hydrolase (FAAH) as a novel therapeutic strategy in the treatment of pain and inflammatory diseases in the gastrointestinal tract. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20140214
Elevating endocannabinoid levels: pharmacological strategies and potential therapeutic applications. The Proceedings of the Nutrition Society 20140201
An efficient randomised, placebo-controlled clinical trial with the irreversible fatty acid amide hydrolase-1 inhibitor PF-04457845, which modulates endocannabinoids but fails to induce effective analgesia in patients with pain due to osteoarthritis of the knee. Pain 20120901
Assessment of the pharmacology and tolerability of PF-04457845, an irreversible inhibitor of fatty acid amide hydrolase-1, in healthy subjects. British journal of clinical pharmacology 20120501
Peripheral FAAH inhibition causes profound antinociception and protects against indomethacin-induced gastric lesions. Pharmacological research 20120501
Mechanistic and pharmacological characterization of PF-04457845: a highly potent and selective fatty acid amide hydrolase inhibitor that reduces inflammatory and noninflammatory pain. The Journal of pharmacology and experimental therapeutics 20110701
Discovery of PF-04457845: A Highly Potent, Orally Bioavailable, and Selective Urea FAAH Inhibitor. ACS medicinal chemistry letters 20110210
Pharmacotherapeutic modulation of the endocannabinoid signalling system in psychiatric disorders: drug-discovery strategies. International review of psychiatry (Abingdon, England) 20090401
Properties