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Home > Products > Pharmaceutical R&D Materials > Heterocyclic Building Blocks > N-(PYRIDIN-3-YL)-4-(3-((5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)OXY)BENZYL)PIPERIDINE-1-CARBOXAMIDE
N-(PYRIDIN-3-YL)-4-(3-((5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)OXY)BENZYL)PIPERIDINE-1-CARBOXAMIDE structure, CAS 1196109-52-0

N-(PYRIDIN-3-YL)-4-(3-((5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)OXY)BENZYL)PIPERIDINE-1-CARBOXAMIDE

CAS Number1196109-52-0

Synonyms,PF3845,PF 3845; 4-(3-(5-(trifluoromethyl)pyridin-2-yloxy)benzyl)-N-(pyridin-3-yl)piperidine-1-carboxamide; PF 3845 hydrate; N-(3-Pyridinyl)-4-(3-{[5-(trifluoromethyl)-2-pyridinyl]oxy}benzyl)-1-piperidinecarboxamide; PF-3845; cc-145; PF3845

Molecular FormulaC24H23F3N4O2

Molecular Weight456.46 (anhydrous basis)

Purity≥98 (HPLC)%

Density1.3±0.1 g/cm3

Boiling Point623.6±55.0 °C at 760 mmHg

Melting Point

Flash Point

Appearancepowder

EINECS0

MSDSChineseEnglish

Symboltransportation

Signal WordWarning

Cat. No.: 2A-0161703 Purity: ≥98 (HPLC)%
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Quality Control of [ 1196109-52-0 ] Purity: ≥98 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number1196109-52-0
Catalog No.2A-0161703
Chinese NamePF-3845 N-3-吡啶-4-[[3-[[5-(三氟甲基)-2-吡啶]氧基]苯基]甲基]-1-哌啶羧酰胺
Synonyms,PF3845,PF 3845; 4-(3-(5-(trifluoromethyl)pyridin-2-yloxy)benzyl)-N-(pyridin-3-yl)piperidine-1-carboxamide; PF 3845 hydrate; N-(3-Pyridinyl)-4-(3-{[5-(trifluoromethyl)-2-pyridinyl]oxy}benzyl)-1-piperidinecarboxamide; PF-3845; cc-145; PF3845
Molecular FormulaC24H23F3N4O2
Molecular Weight456.46 (anhydrous basis)
Purity≥98 (HPLC)
Density1.3±0.1 g/cm3
Boiling Point623.6±55.0 °C at 760 mmHg
Appearancepowder
Water SolubilityDMSO: ≥45mg/mL
Storage ConditionStore at +4°C
ApplicationPF-3845 is a selective fatty amide hydrolase (FAAH) inhibitor with a Ki of 230nM and almost no activity against FAAH2.
EINECS0
HTC0
UN(IATA)0
PubChem ID329823740
MDL NumberMFCD21365072
SMILESO.FC(F)(F)c1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc4cccnc4)c2)nc1
InChI1S/C24H23F3N4O2.H2O/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20;/h1-7,10,14-17H,8-9,11-13H2,(H,30,32);1H2
InChI KeyCVQMBUCCSAKASE-UHFFFAOYSA-N
NACRES CodeNA.77
UNSPSC51111800
Hazard Symbolstransportation
MSDSmsds/161703_1_1196109_52_0.pdf
BioactivityPF-3845 is a selective fatty acid amide hydrolase (FAAH) inhibitor (Ki = 0.23 μM); showing negligible activity against FAAH2.IC50 value: 0.23 uMTarget: FAAHPF-3845 selectively inhibits FAAH by carbamylating FAAH's serine nucleophile [1]. PF-3845 treated mice (10 mg/kg, i.p.) shows rapid and complete inactivation of FAAH in the brain, as judged by competitive activity-based protein profiling (ABPP) with the serine hydrolase-directed probe fluorophosphonate (FP)-rhodamine. PF-3845 shows a long duration of action up to 24 hour. PF-3845-treated mice also shows dramatic (>10-fold) elevation in brain levels of AEA and other NAEs (N-pamitoyl ethanolamine [PEA] and N-oleoyl ethanolamine [OEA]). FAAH is AEA-degrading enzyme fatty acid amide hydrolase. PF-3845 (1-30 mg/kg, oral administration [p.o.]) causes a dose dependent inhibition of mechanical allodynia with a minimum effective dose (MED) of 3 mg/kg (rats are analyzed at 4 hour post dosing with PF-3845). At higher doses (10 and 30 mg/kg), PF-3845 inhibits pain responses to an equivalent, if not greater, degree than the nonsteroidal anti-inflammatory drug naproxen (10mg/kg, p.o.) [1]. PF-3845 (10 mg/kg, i.p.) significantly reverses LPS-induced tactile allodynia, but doesn't modify paw withdrawal thresholds in the saline-injected paw [2]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> FAAH Signaling Pathways >> Neuronal Signaling >> FAAH Research Areas >> Inflammation/Immunology References [1]. Ahn K, et al. Discovery and characterization of a highly selective FAAH inhibitor that reduces inflammatory pain. Chem Biol. 2009 Apr 24;16(4):411-20. [2]. Booker L, et al. The fatty acid amide hydrolase (FAAH) inhibitor PF-3845 acts in the nervous system to reverse LPS-induced tactile allodynia in mice. Br J Pharmacol, 2012, 165(8), 2485-2496. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 623.6±55.0 °C at 760 mmHg Molecular Formula C24H23F3N4O2 Molecular Weight 456.460 Flash Point 330.9±31.5 °C Exact Mass 456.177307 PSA 67.35000 LogP 3.72 Appearance of Characters white to tan Vapour Pressure 0.0±1.8 mmHg at 25°C Index of Refraction 1.595 InChIKey NBOJHRYUGLRASX-UHFFFAOYSA-N SMILES O=C(Nc1cccnc1)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1 Storage condition Store at +4°C Water Solubility DMSO: ≥45mg/mL
Use ofProperties Name N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide Synonym More Synonyms PF-3845 Biological Activity Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> FAAH Signaling Pathways >> Neuronal Signaling >> FAAH Research Areas >> Inflammation/Immunology References [1]. Ahn K, et al. Discovery and characterization of a highly selective FAAH inhibitor that reduces inflammatory pain. Chem Biol. 2009 Apr 24;16(4):411-20. [2]. Booker L, et al. The fatty acid amide hydrolase (FAAH) inhibitor PF-3845 acts in the nervous system to reverse LPS-induced tactile allodynia in mice. Br J Pharmacol, 2012, 165(8), 2485-2496. Chemical & Physical Properties Molecular Formula C24H23F3N4O2 Exact Mass 456.177307 PSA 67.35000 Appearance of Characters white to tan Index of Refraction 1.595 InChIKey NBOJHRYUGLRASX-UHFFFAOYSA-N
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 United Nations shipping name European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (PF 3845 hydrate) IMDG Code: TOXIC SOLID, ORGANIC, N.O.S. (PF 3845 hydrate) International air transport hazard regulations: Toxic solid, organic, n.o.s. (PF 3845 hydrate) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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