MedKoo Cat#: 462424 | Name: XY101
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

XY101
XY101
CAS#2349368-16-5

Theoretical Analysis

MedKoo Cat#: 462424

Name: XY101

CAS#: 2349368-16-5

Chemical Formula: C25H20F7NO4S

Exact Mass: 563.1001

Molecular Weight: 563.49

Elemental Analysis: C, 53.29; H, 3.58; F, 23.60; N, 2.49; O, 11.36; S, 5.69

Price and Availability

Size Price Availability Quantity
5mg USD 650.00 2 Weeks
10mg USD 1,150.00 2 Weeks
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Related CAS #
No Data
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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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
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