XY123

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Hodoodo CAT#: H464845

CAS#: unknown

Description: XY123 is a Potent, Selective, and Orally Available RORγ Inverse Agonist. XY123 potently inhibited the RORγ transcription activity with a half-maximal inhibitory concentration (IC50) value of 64 nM and showed excellent selectivity against other nuclear receptors. XY123 also potently suppressed cell proliferation, colony formation, and the expression of androgen receptor (AR)-regulated genes in AR-positive prostate cancer cell lines.

Chemical Structure

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XY123
CAS# unknown
Instruction

Theoretical Analysis

Hodoodo Cat#: H464845
Name: XY123
CAS#: unknown
Chemical Formula: C32H27F4N3O3S
Exact Mass: 609.17
Molecular Weight: 609.640
Elemental Analysis: C, 63.05; H, 4.46; F, 12.47; N, 6.89; O, 7.87; S, 5.26

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @hodoodo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: XY123; XY 123; XY-123;

IUPAC/Chemical Name: (S)-2-(4-(ethylsulfonyl)phenyl)-N-(4-(1-(1-(4-fluorophenyl)ethyl)-6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)phenyl)acetamide

InChi Key: KPMTUCCYXWPTAN-FQEVSTJZSA-N

InChi Code: InChI=1S/C32H27F4N3O3S/c1-3-43(41,42)27-15-4-21(5-16-27)18-30(40)37-26-13-8-23(9-14-26)31-38-28-17-10-24(32(34,35)36)19-29(28)39(31)20(2)22-6-11-25(33)12-7-22/h4-17,19-20H,3,18H2,1-2H3,(H,37,40)/t20-/m0/s1

SMILES Code: CCS(C1=CC=C(CC(NC2=CC=C(C3=NC(C=CC(C(F)(F)F)=C4)=C4N3[C@H](C5=CC=C(F)C=C5)C)C=C2)=O)C=C1)(=O)=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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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:

Preparing Stock Solutions

The following data is based on the product molecular weight 609.64 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Wu X, Shen H, Zhang Y, Wang C, Li Q, Zhang C, Zhuang X, Li C, Shi Y, Xing Y, Xiang Q, Xu J, Wu D, Liu J, Xu Y. Discovery and Characterization of Benzimidazole Derivative XY123 as a Potent, Selective, and Orally Available RORγ Inverse Agonist. J Med Chem. 2021 Jun 24;64(12):8775-8797. doi: 10.1021/acs.jmedchem.1c00763. Epub 2021 Jun 14. PMID: 34121397.