DAGROCORAT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H29F3N2O2
Molecular Weight	494.548
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CCC3=CC(=CC=C3[C@]1(CC4=CC=CC=C4)CC[C@@](O)(C2)C(F)(F)F)C(=O)NC5=CC=CN=C5C

InChI

InChIKey=QJJBNCHSWFGXML-KEKPKEOLSA-N

InChI=1S/C29H29F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H29F3N2O2
Molecular Weight	494.548
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/31168411 | https://www.ncbi.nlm.nih.gov/pubmed/27781421

Pfizer developed fosdagrocorat (PF-04171327), a dissociated agonist of the glucocorticoid receptor for the treatment of rheumatoid arthritis. The drug successfully completed the phase II clinical trial; however, further study of the drug was discontinued.

Approval Year

PubMed

Title	Date	PubMed
Pharmacokinetics and food-effect of fosdagrocorat (PF-04171327), a dissociated agonist of the glucocorticoid receptor, in healthy adult Caucasian and Japanese subjects .	2016 Dec	27781421
Fosdagrocorat (PF-04171327) versus prednisone or placebo in rheumatoid arthritis: a randomised, double-blind, multicentre, phase IIb study.	2019	31168411

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:42:55 UTC 2023` Edited by `admin` on `Sat Dec 16 01:42:55 UTC 2023`
Record UNII	OPM23UN90U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DAGROCORAT

Official Name

English

PF-802

Code

English

DAGROCORAT [USAN]

Common Name

English

PF-00251802

Code

English

PF-0251802

Code

English

(4bS,7R,8aR)-4b-Benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-2-carboxamide

Systematic Name

English

Dagrocorat [WHO-DD]

Common Name

English

dagrocorat [INN]

Common Name

English

2-PHENANTHRENECARBOXAMIDE, 4B,5,6,7,8,8A,9,10-OCTAHYDRO-7-HYDROXY-N-(2-METHYL-3-PYRIDINYL)-4B-(PHENYLMETHYL)-7-(TRIFLUOROMETHYL)-, (4BS,7R,8AR)-

Systematic Name

English

Code System Code Type Description

CAS

1044535-52-5