MedKoo Cat#: 465770 | Name: AR PROTAC A16

Description:

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

AR PROTAC A16 is a novel potent androgen receptor (AR) degrader, exhibiting excellent AR binding affinity (85%) and AR degradation efficacy at 30 μM.

Chemical Structure

AR PROTAC A16
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 465770

Name: AR PROTAC A16

CAS#: unknown

Chemical Formula: C36H35F3N8O8S

Exact Mass: 796.2251

Molecular Weight: 796.78

Elemental Analysis: C, 54.27; H, 4.43; F, 7.15; N, 14.06; O, 16.06; S, 4.02

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
AR PROTAC A16; ARPROTAC A16; AR-PROTAC A16; AR PROTACA16; AR PROTAC-A16; ARPROTACA16; AR-PROTAC-A16;
IUPAC/Chemical Name
4-(3-(3-(4-((2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)ethoxy)ethoxy)methyl)-1H-1,2,3-triazol-1-yl)propyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
InChi Key
PTYBCCGNUYFAGZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C36H35F3N8O8S/c1-35(2)33(52)46(23-8-7-21(18-40)25(17-23)36(37,38)39)34(56)45(35)12-4-11-44-19-22(42-43-44)20-54-14-13-53-15-16-55-27-6-3-5-24-29(27)32(51)47(31(24)50)26-9-10-28(48)41-30(26)49/h3,5-8,17,19,26H,4,9-16,20H2,1-2H3,(H,41,48,49)
SMILES Code
N#CC1=CC=C(N(C(N(CCCN2N=NC(COCCOCCOC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=C2)C6(C)C)=S)C6=O)C=C1C(F)(F)F
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

Preparing Stock Solutions

The following data is based on the product molecular weight 796.78 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: Liang JJ, Xie H, Yang RH, Wang N, Zheng ZJ, Zhou C, Wang YL, Wang ZJ, Liu HM, Shan LH, Ke Y. Designed, synthesized and biological evaluation of proteolysis targeting chimeras (PROTACs) as AR degraders for prostate cancer treatment. Bioorg Med Chem. 2021 Sep 1;45:116331. doi: 10.1016/j.bmc.2021.116331. Epub 2021 Jul 26. PMID: 34364224.