XY101

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

MedKoo CAT#: 207087

CAS#: Unknown

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.


Price and Availability

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XY101 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 207087
Name: XY101
CAS#: Unknown
Chemical Formula: C25H20F7NO4S
Exact Mass: 563.1001
Molecular Weight: 563.4868
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=C(NC1=CC=C(C2=CC=C(C(C(F)(F)F)(O)C(F)(F)F)C=C2F)C=C1)CC3=CC=C(S(=O)(CC)=O)C=C3


Technical Data

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).

Harmonized System Code:
2934990300


References

Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable RORγ Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer
Yan Zhang, Xishan Wu, Xiaoqian Xue, Chenchang Li, Junjian Wang, Rui Wang, Cheng Zhang, Chao Wang, Yudan Shi, Lingjiao Zou, Qiu Li, Zenghong Huang, Xiaojuan Hao, Kerry Loomes, Donghai Wu, Hong-Wu Chen, Jinxin Xu, and Yong Xu
Publication Date (Web): April 9, 2019 (Article)
DOI: 10.1021/acs.jmedchem.9b00327