XY101 , CAS No.X614906, Agonist of RAR-related orphan receptor-γ

Item Number
X614906
Grouped product items
SKUSizeAvailabilityPrice Qty
X614906-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$200.90
X614906-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$880.90

Basic Description

Synonymscompound 27;XY-101
Specifications & PurityMoligand™
GradeMoligand™
Action TypeAGONIST
Mechanism of actionAgonist of RAR-related orphan receptor-γ

Associated Targets(Human)

RORC Tchem Nuclear receptor ROR-gamma (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H3 Tchem LXR-alpha (2891 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DU-145 (51482 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LNCaP (8286 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CWR22R (2180 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RORA Tchem Nuclear receptor ROR-alpha (562 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RORB Tchem Nuclear receptor ROR-beta (600 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

INCHI InChI=1S/C25H20F7NO4S/c1-2-38(36,37)19-10-3-15(4-11-19)13-22(34)33-18-8-5-16(6-9-18)20-12-7-17(14-21(20)26)23(35,24(27,28)29)25(30,31)32/h3-12,14,35H,2,13H2,1H3,(H,33,34)
InChi Key AUIAOCHKUNGZHV-UHFFFAOYSA-N
Canonical SMILES CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1ccc(cc1)c1ccc(cc1F)C(C(F)(F)F)(C(F)(F)F)O
Isomeric SMILES CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)F
PubChem CID 138105957

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References

1. Wang J, Zou JX, Xue X, Cai D, Zhang Y, Duan Z, Xiang Q, Yang JC, Louie MC, Borowsky AD et al..  (2016)  ROR-γ drives androgen receptor expression and represents a therapeutic target in castration-resistant prostate cancer..  Nat Med,  22  (5): (488-96).  [PMID:27019329] [10.1021/op500134e]
2. Zhang Y, Wu X, Xue X, Li C, Wang J, Wang R, Zhang C, Wang C, Shi Y, Zou L et al..  (2019)  Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable RORγ Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer..  J Med Chem,  62  (9): (4716-4730).  [PMID:30964293] [10.1021/op500134e]

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