RSS0680 (Example 22) is a bifunctional compound targeting protein-degrading kinases. RSS0680 degrades AAK1, CDK1, CDK16, CDK2, CDK4, CDK6, EIF2AK4, GAK, LATSl, LIMK2, MAPK6, MAPKAPK5, MARK2, MARK4, MKNK2, NEK9, RPS6KB1, SIK2, SNRK, STK17A, STK17B, STK35, and WEEl. RSS0680 may be utilized to study diseases or disorders mediated by abnormal kinase activity.

Physicochemical Properties

Molecular Formula	C52H64N10O6S3
Molecular Weight	1021.3229675293
Exact Mass	1020.417
CAS #	2769753-48-0
PubChem CID	165412589
Appearance	Light yellow to yellow solid powder
LogP	7.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	19
Heavy Atom Count	71
Complexity	1850
Defined Atom Stereocenter Count	4
SMILES	CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCN4CCN(CC4)C5=CC=C(C=C5)NC6=NC=C7C(=N6)C(=CS7)C8=CC(=CC=C8)NS(=O)(=O)C)O
InChi Key	LYEASLAOGYYESL-GYRLGPJISA-N
InChi Code	InChI=1S/C52H64N10O6S3/c1-33(35-14-16-36(17-15-35)47-34(2)54-32-70-47)55-49(65)43-28-41(63)30-62(43)50(66)48(52(3,4)5)57-45(64)13-8-7-9-22-60-23-25-61(26-24-60)40-20-18-38(19-21-40)56-51-53-29-44-46(58-51)42(31-69-44)37-11-10-12-39(27-37)59-71(6,67)68/h10-12,14-21,27,29,31-33,41,43,48,59,63H,7-9,13,22-26,28,30H2,1-6H3,(H,55,65)(H,57,64)(H,53,56,58)/t33-,41+,43-,48+/m0/s1
Chemical Name	(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[4-[[7-[3-(methanesulfonamido)phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	CDK1 CDK2 CDK4 CDK6 SIK2 CDK16/Cyclin Y
References	[1]. Bifunctional compounds for targeted protein degradation of kinases: World Intellectual Property Organization, WO2022093742[P]. 2022-05-05.

Solubility Data

Solubility (In Vitro)

DMSO : 200 mg/mL (195.83 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 5 mg/mL (4.90 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	0.9791 mL	4.8956 mL	9.7913 mL
	5 mM	0.1958 mL	0.9791 mL	1.9583 mL
	10 mM	0.0979 mL	0.4896 mL	0.9791 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.