WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H462424
CAS#: 2349368-16-5
Description: XY101 is a Potent, Selective, and Orally Bioavailable RORγ Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer with IC50 = 30nM. XY101 potently inhibited cell growth, colony formation, and the expression of AR, AR-V7, and PSA. XY101 also exhibited good metabolic stability and a pharmacokinetic profile with oral bioavailability of 59% and a half-life of 7.3 h. Notably, XY101 demonstrated promising therapeutic effects with significant tumor growth inhibition in a prostate cancer xenograft model inmice.
Hodoodo Cat#: H462424
Name: XY101
CAS#: 2349368-16-5
Chemical Formula: C25H20F7NO4S
Exact Mass: 563.10
Molecular Weight: 563.487
Elemental Analysis: C, 53.29; H, 3.58; F, 23.60; N, 2.49; O, 11.36; S, 5.69
Synonym: XY101; XY-101; XY 101
IUPAC/Chemical Name: 2-(4-(ethylsulfonyl)phenyl)-N-(2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-[1,1'-biphenyl]-4-yl)acetamide
InChi Key: AUIAOCHKUNGZHV-UHFFFAOYSA-N
InChi Code: 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)
SMILES Code: O=S(C1=CC=C(CC(NC2=CC=C(C3=C(F)C=C(C(O)(C(F)(F)F)C(F)(F)F)C=C3)C=C2)=O)C=C1)(CC)=O
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 563.49 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
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. 2019;62(9):4716-4730. doi:10.1021/acs.jmedchem.9b00327
