Redafamdastat

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H20F3N5O2
Molecular Weight	455.4324
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

FC(F)(F)C1=CN=C(OC2=CC(C=C3CCN(CC3)C(=O)NC4=NN=CC=C4)=CC=C2)C=C1

InChI

InChIKey=BATCTBJIJJEPHM-UHFFFAOYSA-N

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)

HIDE SMILES / InChI

Molecular Formula	C23H20F3N5O2
Molecular Weight	455.4324
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21666860 | https://www.ncbi.nlm.nih.gov/pubmed/23731552

PF-04457845 is a fatty acid amide hydrolase 1 inhibitor developed by Pfizer for the treatment of inflammatory and noninflammatory pain disorders. The drug was tested in phase II in patients with osteoarthritis of the knee, but found to have the same effect as placebo. It was also assessed in phase II clinical trial for its effect on marijuana withdrawal and Tourette syndrome.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Anandamide amidohydrolase 26 Target ID: CHEMBL2243 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21666860	Inhibitor 8297		7.2 nM [IC50]

Conditions

Condition	Modality	Highest Phase	Product
Osteoarthritis of knee 23 Sources: https://clinicaltrials.gov/ct2/show/NCT00981357	Palliative	Phase II 1132	Unknown Approved Use Unknown
Tourette's syndrome 20 Sources: https://clinicaltrials.gov/ct2/show/NCT02134080	Primary	Phase II 1132	Unknown Approved Use Unknown
Cannabis withdrawal 1 Sources: https://clinicaltrials.gov/ct2/show/NCT01618656	Curative	Phase II 1132	Unknown Approved Use Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
129 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22044402	8 mg 1 times / day multiple, oral dose: 8 mg route of administration: Oral experiment type: MULTIPLE co-administered:		PF-04457845 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED
442 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22044402	40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered:		PF-04457845 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED

AUC

Value	Dose	Co-administered	Analyte	Population
1420 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22044402	8 mg 1 times / day multiple, oral dose: 8 mg route of administration: Oral experiment type: MULTIPLE co-administered:		PF-04457845 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED
6048 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22044402	40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered:		PF-04457845 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED

T_1/2

Value	Dose	Co-administered	Analyte	Population
21.9 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22044402	8 mg 1 times / day multiple, oral dose: 8 mg route of administration: Oral experiment type: MULTIPLE co-administered:		PF-04457845 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED
22.8 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22044402	40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered:		PF-04457845 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FASTED

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY34068	https://www.001chemical.com/chem/search?q=DY34068
1PlusChem LLC	1P0006VA	https://www.1pchem.com/search?query=1P0006VA
A2B Chem	AA08102	http://a2bchem.com/prod/AA08102
AChemBlock	H-8352	http://www.achemblock.com/catalogsearch/result/?q=H-8352
AK Scientific	3968AH	https://aksci.com/item_detail.php?cat=3968AH
Ambeed	A137082	http://www.ambeed.com/search/Search.html?keyword=A137082
Angene	AGN-PC-0OR4ZZ	http://www.angenechemical.com/productshow/AGN-PC-0OR4ZZ.html
AstaTech	41436	http://astatechinc.com/CPSResult.php?CRNO=41436
BLD Pharm	BD448228	http://www.bldpharm.com/search/Search.html?keyword=BD448228
Cayman Chemical	19306	http://www.caymanchem.com/app/template/Product.vm/catalog/19306
Chem Scene	CS-0868	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-0868
ChemShuttle	156598	https://www.chemshuttle.com/catalogsearch/result/?q=156598
Excenen	EX-A2309	http://www.excenen.com/searchresultlist.php?id=EX-A2309
KeyOrganics	AS-74797	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-74797
Lab Seeker	SC-96647	http://www.labseeker.com/search.php?keywords=SC-96647&category=0
LabSeeker	SC-96647	http://www.labseeker.com/search.php?keywords=SC-96647&category=0
MedChem Express	HY-14376	https://www.medchemexpress.com/search.html?q=HY-14376&ft=&fa=&fp=
MolPort	MolPort-039-139-773	https://www.molport.com/shop/molecule-link/MolPort-039-139-773
Molcore	MC34068	http://www.molcore.com/CatMC34068.html
Molnova	M17118	https://www.molnova.com/en/serch-list.html?keywords=M17118
MuseChem	I000145	https://www.musechem.com/product/I000145.html
ShangHai Biochempartner	BCP05805	http://www.biochempartner.com/search_BCP05805
TargetMol	T4323	https://www.targetmol.com/search?keyword=T4323
eMolecules	44811518	https://orderbb.emolecules.com/search/#?query=44811518
mcule	MCULE-2047028414	https://mcule.com/MCULE-2047028414/

PubMed

Title	Date	PubMed
Discovery of PF-04457845: A Highly Potent, Orally Bioavailable, and Selective Urea FAAH Inhibitor.	2011 Feb 10	21666860
Elevating endocannabinoid levels: pharmacological strategies and potential therapeutic applications.	2014 Feb	24135210
Inhibition of fatty acid amide hydrolase (FAAH) as a novel therapeutic strategy in the treatment of pain and inflammatory diseases in the gastrointestinal tract.	2014 Feb 14	24275607

Patents

Sample Use Guides

In Vivo Use Guide

Take 4 mg tablet once daily

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 03:07:40 UTC 2023` Edited by `admin` on `Sat Dec 16 03:07:40 UTC 2023`
Record UNII	H4C81M8YYW
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Redafamdastat

Common Name

English

PF-4457845

Code

English

redafamdastat [INN]

Common Name

English

N-3-Pyridazinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylene]-1-piperidinecarboxamide

Systematic Name

English

PF-04457845

Code

English

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

Systematic Name

English

Code System Code Type Description

CAS

1020315-31-4