Synonym
YJ1206; YJ 1206; YJ-1206
IUPAC/Chemical Name
3-benzyl-1-(6-(4-(1-(2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindolin-5-yl)piperidin-4-yl)piperazin-1-yl)pyridin-3-yl)-1-((1r,4r)-4-(quinazolin-2-ylamino)cyclohexyl)urea
InChi Key
SEWFPOHTHJEBQK-LINYYPFMSA-N
InChi Code
InChI=1S/C49H52FN11O5/c50-39-26-37-38(47(65)61(46(37)64)41-15-17-44(62)56-45(41)63)27-42(39)58-20-18-34(19-21-58)57-22-24-59(25-23-57)43-16-14-36(30-51-43)60(49(66)53-28-31-6-2-1-3-7-31)35-12-10-33(11-13-35)54-48-52-29-32-8-4-5-9-40(32)55-48/h1-9,14,16,26-27,29-30,33-35,41H,10-13,15,17-25,28H2,(H,53,66)(H,52,54,55)(H,56,62,63)/t33-,35-,41?
SMILES Code
O=C(NCC1=CC=CC=C1)N(C2=CN=C(N3CCN(C4CCN(C5=C(F)C=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=C5)CC4)CC3)C=C2)[C@H](CC8)CC[C@@H]8NC9=NC=C%10C(C=CC=C%10)=N9
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
894.03
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.
| 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 |
Chang Y, Wang X, Yang J, Tien JC, Mannan R, Cruz G, Zhang Y, Vo JN, Magnuson B, Mahapatra S, Cho H, Dhanasekaran SM, Wang C, Wang Z, Zhou L, Zhou K, Zhou Y, Zhang P, Huang W, Xiao L, Liu WR, Hamadeh R, Su F, Wang R, Miner SJ, Cao X, Cheng Y, Mehra R, Ding K, Chinnaiyan AM. Development of an orally bioavailable CDK12/13 degrader and induction of synthetic lethality with AKT pathway inhibition. Cell Rep Med. 2024 Oct 15;5(10):101752. doi: 10.1016/j.xcrm.2024.101752. Epub 2024 Sep 30. PMID: 39353441; PMCID: PMC11513842.
