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fosdagrocorat , Glucocorticoid receptor modulator, CAS No.1044535-58-1, Glucocorticoid receptor modulator

CAS#: 1044535-58-1
Formula: C₂₉H₃₀F₃N₂O₅P
Molecular Weight: 574.5
PubChem CID: 24872952

Item Number

F610382

Grouped product items
SKU	Size	Availability	Price	Qty
F610382-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
F610382-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,684.90

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Glucocorticoid receptor Agonist

Basic Description

Synonyms	Fosdagrocorat \| 1044535-58-1 \| PF-04171327 \| HPI19004QS \| (2R,4aS,10aR)-4a-Benzyl-7-((2-methylpyridin-3-yl)carbamoyl)-2-(trifluoromethyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-2-yl dihydrogen phosphate \| [(2R,4aS,10aR)-4a-benzyl-7-[(2-methylpyridin-3-yl)carbamoy
Grade	Moligand™
Action Type	AGONIST, MODULATOR
Mechanism of action	Glucocorticoid receptor modulator

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (3 Activities)

Discover Target: NR3C1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

IL6 Tclin Interleukin-6 (1 Activities)

Discover Target: IL6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IL6 Tclin Interleukin-6 (43 Activities)

Discover Target: IL6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	[(2R,4aS,10aR)-4a-benzyl-7-[(2-methylpyridin-3-yl)carbamoyl]-2-(trifluoromethyl)-1,3,4,9,10,10a-hexahydrophenanthren-2-yl] dihydrogen phosphate
INCHI	InChI=1S/C29H30F3N2O5P/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(29(30,31)32,39-40(36,37)38)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23H,9,11,13-14,17-18H2,1H3,(H,34,35)(H2,36,37,38)/t23-,27+,28-/m1/s1
InChi Key	BVXLAHSJXXSWFF-KEKPKEOLSA-N
Canonical SMILES	O=C(c1ccc2c(c1)CC[C@H]1[C@]2(CC[C@](C1)(OP(=O)(O)O)C(F)(F)F)Cc1ccccc1)Nc1cccnc1C
Isomeric SMILES	CC1=C(C=CC=N1)NC(=O)C2=CC3=C(C=C2)[C@@]4(CC[C@@](C[C@H]4CC3)(C(F)(F)F)OP(=O)(O)O)CC5=CC=CC=C5
PubChem CID	24872952
Molecular Weight	574.5

CAS Registry No.

PubChem CID

ChEMBL Ligand

BindingDB Ligand

References

1. Stock T, Fleishaker D, Wang X, Mukherjee A, Mebus C. (2017) Improved disease activity with fosdagrocorat (PF-04171327), a partial agonist of the glucocorticoid receptor, in patients with rheumatoid arthritis: a Phase 2 randomized study.. Int J Rheum Dis, 20 (8): (960-970). [PMID:28328159]
2. Harcken C, Riether D, Kuzmich D, Liu P, Betageri R, Ralph M, Emmanuel M, Reeves JT, Berry A, Souza D et al.. (2014) Identification of highly efficacious glucocorticoid receptor agonists with a potential for reduced clinical bone side effects.. J Med Chem, 57 (4): (1583-98). [PMID:24506830]
3. Buttgereit F, Bijlsma JWJ, Strehl C. (2018) Will we ever have better glucocorticoids?. Clin Immunol, 186 (3): (64-66). [PMID:28757452]

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fosdagrocorat , Glucocorticoid receptor modulator, CAS No.1044535-58-1, Glucocorticoid receptor modulator

Basic Description

Product Properties

Associated Targets(Human)

Associated Targets(non-human)

Names and Identifiers

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