PHA-797804

Investigational

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H19BrF2N2O3
Molecular Weight	477.299
Optical Activity	NONE
Additional Stereochemistry	Yes
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0
Stereo Comments	AXIAL, RACEMIC

SHOW SMILES / InChI

Structure Search

SMILES

CNC(=O)C1=CC(N2C(C)=CC(OCC3=CC=C(F)C=C3F)=C(Br)C2=O)=C(C)C=C1

InChI

InChIKey=KCAJXIDMCNPGHZ-UHFFFAOYSA-N

InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)

HIDE SMILES / InChI

Molecular Formula	C22H19BrF2N2O3
Molecular Weight	477.299
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/19720877 | https://www.ncbi.nlm.nih.gov/pubmed/19496616

PH-797804 is a diarylpyridinone inhibitor of p38alpha mitogen-activated protein. The drug was developed by Pfizer for the treatment of inflammatory diseases. PH-797804 is being tested in phase II of clinical trials in patients with COPD, osteoarthritis, rheumatoid arthritis and post-herpetic neuralgia.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
MAP kinase p38 alpha 35 Target ID: CHEMBL260 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21641211	Inhibitor 8297		2.3 nM [IC50]

Conditions

Condition	Modality	Highest Phase	Product
Chronic obstructive pulmonary disease 174 Sources: https://clinicaltrials.gov/ct2/show/NCT00559910	Primary	Phase II 1132	Unknown Approved Use Unknown
Postherpetic neuralgia 13 Sources: https://clinicaltrials.gov/ct2/show/NCT00614705	Primary	Phase II 1132	Unknown Approved Use Unknown
Rheumatoid arthritis 316 Sources: https://clinicaltrials.gov/ct2/show/NCT00383188	Palliative	Phase II 1132	Unknown Approved Use Unknown
Osteoarthritis of knee 23 Sources: https://clinicaltrials.gov/ct2/show/NCT01102660	Palliative	Phase II 1132	Unknown Approved Use Unknown

Sourcing

Vendor/Aggregator	ID	URL
1PlusChem LLC	1P00EFQA	https://www.1pchem.com/search?query=1P00EFQA
AK Scientific	X7463	https://aksci.com/item_detail.php?cat=X7463
Angene	AGN-PC-0SQ758	http://www.angenechemical.com/productshow/AGN-PC-0SQ758.html
ApexBio Technology	A8308	https://www.apexbt.com/catalogsearch/result/?q=A8308
Axon MedChem	1837	https://www.axonmedchem.com/product/1837
Axon MedChem	2786	https://www.axonmedchem.com/product/2786
BOC Sciences	586379-66-0	http://www.bocsci.com/description.asp?cas=586379-66-0
Cayman Chemical	20244	http://www.caymanchem.com/app/template/Product.vm/catalog/20244
Chem Scene	CS-0465	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-0465
ChemShuttle	109802	https://www.chemshuttle.com/catalogsearch/result/?q=109802
Excenen	EX-A2344	http://www.excenen.com/searchresultlist.php?id=EX-A2344
Hairui	HR110180	http://www.hairuichem.com/en/product/search.do?q=HR110180
Matrix Scientific	97267	http://www.matrixscientific.com/097267.html
MedChem Express	HY-10403	https://www.medchemexpress.com/search.html?q=HY-10403&ft=&fa=&fp=
MolPort	MolPort-021-804-991	https://www.molport.com/shop/molecule-link/MolPort-021-804-991
Molnova	M15158	https://www.molnova.com/en/serch-list.html?keywords=M15158
MuseChem	R024553	https://www.musechem.com/product/R024553.html
Ryan Scientific	Diclofenac_Amide	https://ryansci.com/products?q=Diclofenac_Amide&list_q=&search_type=exact
Selleck Chemicals	S2726	http://www.selleckchem.com/search.html?searchDTO.searchParam=S2726
ShangHai Biochempartner	BCP000284	http://www.biochempartner.com/search_BCP000284
ShangHai Biochempartner	BCP02266	http://www.biochempartner.com/search_BCP02266
TargetMol	T1974	https://www.targetmol.com/search?keyword=T1974
Toronto Research Chemicals	F594505	https://www.trc-canada.com/product-detail/?CatNum=F594505
Toronto Research Chemicals	P399150	https://www.trc-canada.com/product-detail/?CatNum=P399150
eMolecules	37153213	https://orderbb.emolecules.com/search/#?query=37153213
eNovation Chemicals	D518772	https://www.enovationchem.com/Products.asp?SEARCHTEXT=D518772&searchbtn.x=0&searchbtn.y=0
mcule	MCULE-9395102749	https://mcule.com/MCULE-9395102749/

PubMed

Title	Date	PubMed
Discovery of PH-797804, a highly selective and potent inhibitor of p38 MAP kinase.	2011 Jul 1	21641211

Patents

Sample Use Guides

In Vivo Use Guide

Chronic Obstructive Pulmonary Disease: PH-797804 should be orally administered at maximum dose of 10 mg. Neuralgia: 6 mg dose in oral capsule form, once daily for 28 days. Osteoarthritis: 6 mg once daily for 2 weeks. Rheumatoid Arthritis: the maximum dose is 10 mg taken once daily for 12 weeks.

Route of Administration: Oral

In Vitro Use Guide

Rheumatoid arthritis synovial fibroblasts were treated with serial concentrations (10000–0.01 nM) of PH-797804 for 1 h, stimulated with 1 ng/ml IL-1 for 18 to 20 h at 37C to measure IL-1-beta induced PGE2 production. IC50 was 1.5 nM.

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:50:33 GMT 2023` Edited by `admin` on `Fri Dec 15 15:50:33 GMT 2023`
Record UNII	SI09I1V827
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PHA-797804

Code

English

BENZAMIDE, 3-(3-BROMO-4-((2,4-DIFLUOROPHENYL)METHOXY)-6-METHYL-2-OXO-1(2H)-PYRIDINYL)-N,4-DIMETHYL-

Systematic Name

English

PH 797804

Code

English

PH797804

Code

English

Code System Code Type Description

EPA CompTox

DTXSID70207342