MedKoo Cat#: 128917 | Name: Y2641

Description:

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

Y2641 is a RANKL/TNF‑α Dual-Inhibitor. Y2641 exhibited potent RANKL-induced osteoclastogenic inhibition (IC50 = 109.1 nM), and had anti-inflammatory and cartilage destruction inhibiting effects at 10 μM with low cytotoxicity. SPR assays demonstrated the binding affinity of Y2641 to RANKL (Kd = 3.984 μM) and TNF-α (Kd = 18.59 μM). In vivo assay further revealed the disease-modifying effects of Y2641 in OA rats, establishing Y2641 as a promising lead compound for the development of disease-modifying osteoarthritis drugs.

Chemical Structure

Y2641
Y2641
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 128917

Name: Y2641

CAS#: N/A

Chemical Formula: C28H30N4O

Exact Mass: 438.2420

Molecular Weight: 438.58

Elemental Analysis: C, 76.68; H, 6.90; N, 12.78; O, 3.65

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Y2641; Y-2641; Y 2641
IUPAC/Chemical Name
(3'S)-N-(2,6-dimethylphenyl)-1-phenyl-2',3',4',4a',9',9a'-hexahydrospiro[azetidine-3,1'-pyrido[3,4-b]indole]-3'-carboxamide
InChi Key
YSTJVKUCYKDBPR-NEQFMPMPSA-N
InChi Code
InChI=1S/C28H30N4O/c1-18-9-8-10-19(2)25(18)30-27(33)24-15-22-21-13-6-7-14-23(21)29-26(22)28(31-24)16-32(17-28)20-11-4-3-5-12-20/h3-14,22,24,26,29,31H,15-17H2,1-2H3,(H,30,33)/t22?,24-,26?/m0/s1
SMILES Code
CC1=CC=CC(C)=C1NC([C@H]2NC3(CN(C4=CC=CC=C4)C3)C5NC6=CC=CC=C6C5C2)=O
Appearance
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 438.58 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
Identification of a RANKL/TNF-α Dual-Inhibitor as a Potential Disease-Modifying Agent for the Treatment of Knee Osteoarthritis Zhengguang Shao, Tianqi Wang, Xueming Yan, Ruonan Ning, Xing Xu, Qian He, Xiaofei Zhang, Min Jiang, and Chunhao Yang Journal of Medicinal Chemistry Article ASAP DOI: 10.1021/acs.jmedchem.5c00394