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SK2188

CAT: 0804-HY-171767-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-171767-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SK2188 is a highly efficient and selective PROTAC degrader targeting AURKA (DC50 = 3.9 nM). SK2188 induces DNA damage and cell apoptosis. SK2188 indirectly degrades MYCN, inhibits tumor cell proliferation, and provides insights into the study of MYCN-amplified neuroblastoma (Pink: AURKA ligand: MK-5108 ; Blue: Thalidomide (HY-14658) ; Black: Linker: Amino-PEG4-alcohol (HY-W008005) ).
CAS Number
3038446-94-2
Product Name Alternative
JB325
UNSPSC
12352005
Target
Apoptosis; Aurora Kinase; Caspase; PROTACs
Related Pathways
Apoptosis; Cell Cycle/DNA Damage; Epigenetics; PROTAC
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Purity
99.87
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(OCCOCCOCCOCCNC([C@@]4(CC[C@H](CC4)OC5=C(C(Cl)=CC=C5)F)CC6=CC=CC(NC7=NC=CS7)=N6)=O)=C3C1=O
Molecular Formula
C43H46ClFN6O10S
Molecular Weight
893.38
References & Citations
[1]Muhammad Rishf, et al. Targeted AURKA degradation: Towards new therapeutic agents for neuroblastoma. Eur J Med Chem. 2023 Feb 5:247:115033.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Aurora A; Caspase 3; Caspase 7; Cereblon

Chemical Information

rel-(1r,4r)-4-(3-Chloro-2-fluorophenoxy)-N-(2-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)ethoxy)ethoxy)ethoxy)ethyl)-1-((6-(thiazol-2-ylamino)pyridin-2-yl)methyl)cyclohexane-1-carboxamide
CAS Number3038446-94-2
PubChem CID172466808
IUPAC Name4-(3-chloro-2-fluorophenoxy)-N-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide
Molecular FormulaC43H46ClFN6O10S
Molecular Weight893.4
XLogP4.6
Topological Polar Surface Area225
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count21
Heavy Atom Count62
Formal Charge0
Complexity1530
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCOCCOCCNC(=O)C4(CCC(CC4)OC5=C(C(=CC=C5)Cl)F)CC6=NC(=CC=C6)NC7=NC=CS7
InChI
InChI=1S/C43H46ClFN6O10S/c44-30-6-3-8-33(37(30)45)61-28-12-14-43(15-13-28,26-27-4-1-9-34(48-27)49-42-47-17-25-62-42)41(56)46-16-18-57-19-20-58-21-22-59-23-24-60-32-7-2-5-29-36(32)40(55)51(39(29)54)31-10-11-35(52)50-38(31)53/h1-9,17,25,28,31H,10-16,18-24,26H2,(H,46,56)(H,47,48,49)(H,50,52,53)
InChIKey
YDRHAKKUUAJFHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of rel-(1r,4r)-4-(3-Chloro-2-fluorophenoxy)-N-(2-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)ethoxy)ethoxy)ethoxy)ethyl)-1-((6-(thiazol-2-ylamino)pyridin-2-yl)methyl)cyclohexane-1-carboxamide
CAS: 3038446-94-2
CID: 172466808
Formula: C43H46ClFN6O10S
MW: 893.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight893.4
XLogP34.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count21
Exact Mass892.2668687
Monoisotopic Mass892.2668687
Topological Polar Surface Area225 Ų
Heavy Atom Count62
Formal Charge0
Complexity1530
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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