A RORγ inverse agonist
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XY-018

Item No. 43111

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
N-[2′-fluoro-4′-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl][1,1′-biphenyl]-4-yl]-2-nitro-benzeneacetamide
CAS Number
1873358-87-2
Molecular Formula
C23H15F7N2O4
Formula Weight
516.4
Purity
≥98%
Formulation
A solid
Solubility(Learn about Variance in Solubility)
Acetonitrile: Slightly Soluble: 0.1-1 mg/ml
SMILES
FC(F)(C(O)(C1=CC=C(C2=CC=C(NC(CC3=C(C=CC=C3)[N+]([O-])=O)=O)C=C2)C(F)=C1)C(F)(F)F)F
InChi Code
InChI=1S/C23H15F7N2O4/c24-18-12-15(21(34,22(25,26)27)23(28,29)30)7-10-17(18)13-5-8-16(9-6-13)31-20(33)11-14-3-1-2-4-19(14)32(35)36/h1-10,12,34H,11H2,(H,31,33)
InChi Key
MNVXADPCMINSEC-UHFFFAOYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    5 mg

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    50 mg

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    100 mg

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    Cayman Chemical
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    Product Description

    XY-018 is an inverse agonist of retinoic acid receptor-related orphan receptor γ (RORγ).1 It induces RORγ transcriptional activity in a reporter assay using LNCaP cells (IC50 = 0.19 µM). XY-018 selectively induces RORγ transcriptional activity over RORα transcriptional activity in HEK293T cells (IC50 = 7.57 µM). It reduces the proliferation of androgen receptor-positive LNCaP, 22Rv1, and C4-2B and androgen receptor-negative DU145 and PC3 prostate cancer cells (IC50s = 5.14, 9, 9.2, 28.43, and 11.14 µM, respectively). XY-018 (40 mg/kg per day) decreases tumor volume and induces apoptosis in a patient-derived xenograft (PDX) mouse model of castration-resistant prostate cancer.2

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Zhang, Y., Wu, X., Xue, X., et al. 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 (2019).

    2. Zhang, X., Huang, Z., Wang, J., et al. Targeting feedforward loops formed by nuclear receptor RORγ and kinase PBK in mCRPC with hyperactive AR signaling. Cancers (Basel) 13(7), 1672 (2021).