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1020315-31-4,MFCD18782721
Catalog No.:AA0006BU
1020315-31-4 | 1-Piperidinecarboxamide, N-3-pyridazinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylene]-
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98%(HPLC)
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25mg
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  • Technical Information
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Technical Information
Catalog Number:
AA0006BU
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
Computed 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  

Synonyms
 
N-pyridazin-3-yl-4-(3-((5-(trifluoromethyl)pyridin-2-yl)oxy)benzylidene)piperidine-1-carboxamide 
PF 04457845 
PF04457845 
C23H20F3N5O2 
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]-;1-Piperidinecarboxamide, N-3-pyridazinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylene]- 
N-Pyridazin-3-yl-4-((3-(5-(trifluoromethyl)pyridin-2-yl)oxyphenyl)methylidene)piperidine-1-carboxamide 
N-pyridazin-3-yl-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide 
N-pyridazin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]piperidine-1-carboxamide 
1-Piperidinecarboxamide, N-3-pyridazinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylene]- 
N-Pyridazin-3-yl-4-[(3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl)methylidene]piperidine-1-carboxamide 
compound 23 [PMID: 21666860] 
PF-04457845 
GTPL6694 
SCHEMBL1010408 
DTXSID00144539 
BATCTBJIJJEPHM-UHFFFAOYSA-N 
BCP05805 
EX-A2309 
3968AH 
BDBM50335377 
MFCD18782721 
ZINC66111849 
PF04457845 
AKOS027338651 
API0014059 
CS-0868 
DB12012 
SB17493 
NCGC00378983-01 
NCGC00378983-03 
AK340942 
HY-14376 
SC-96647 
PF-04457845 
PF-4457845 
W-5796 
PF-04457845, >=98% (HPLC) 
N-(Pyridazin-3-yl)-4-(3-((5-(trifluoromethyl)pyridin-2-yl)oxy)benzylidene)piperidine-1-carboxamide 
N-(pyridazin-3-yl)-4-[(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]piperidine-1-carboxamide 
N-3-Pyridazinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylene]-1-piperidinecarboxamide 
N-pyridazin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]piperidine-1-carboxami 
D0JT5I 
A3714 
A15209 
1020315-31-4 
UNII-H4C81M8YYW 
PF 04457845 
H4C81M8YYW 
CHEMBL1651534 
Literature

Title: Activity-based protein profiling reveals off-target proteins of the FAAH inhibitor BIA 10-2474.

Journal: Science (New York, N.Y.) 20170609

Title: Inhibition of fatty acid amide hydrolase (FAAH) as a novel therapeutic strategy in the treatment of pain and inflammatory diseases in the gastrointestinal tract.

Journal: European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20140214

Title: Elevating endocannabinoid levels: pharmacological strategies and potential therapeutic applications.

Journal: The Proceedings of the Nutrition Society 20140201

Title: 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.

Journal: Pain 20120901

Title: Assessment of the pharmacology and tolerability of PF-04457845, an irreversible inhibitor of fatty acid amide hydrolase-1, in healthy subjects.

Journal: British journal of clinical pharmacology 20120501

Title: Peripheral FAAH inhibition causes profound antinociception and protects against indomethacin-induced gastric lesions.

Journal: Pharmacological research 20120501

Title: Mechanistic and pharmacological characterization of PF-04457845: a highly potent and selective fatty acid amide hydrolase inhibitor that reduces inflammatory and noninflammatory pain.

Journal: The Journal of pharmacology and experimental therapeutics 20110701

Title: Discovery of PF-04457845: A Highly Potent, Orally Bioavailable, and Selective Urea FAAH Inhibitor.

Journal: ACS medicinal chemistry letters 20110210

Title: Pharmacotherapeutic modulation of the endocannabinoid signalling system in psychiatric disorders: drug-discovery strategies.

Journal: International review of psychiatry (Abingdon, England) 20090401

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