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SK2187

CAT: 0013-GTR19263815-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263815-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SK2187 is a selective degrader of AURKAPROTAC with a DC50 of approximately 10 nM. It exhibits growth-inhibitory effects on NGP cells, with an IC50 value of 101.5 nM. SK2187 is utilized in studies of MYCN-amplified neuroblastoma.
CAS Number
3038446-91-9
Field of Research
Cell Biology, Epigenetics & Chromatin, Pharmacology & Drug Discovery
Smiles
C ([C@@]1 (C (NCCOCCOCCOCCNC (COC2=C3C (C (=O) N (C3=O) C4C (=O) NC (=O) CC4) =CC=C2) =O) =O) CC[C@@H] (OC5=C (F) C (Cl) =CC=C5) CC1) C=6N=C (NC7=NC=CS7) C=CC6
Molecular Formula
C45H49ClFN7O11S
Molecular Weight
950.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(3-chloro-2-fluorophenoxy)-N-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide
CAS Number3038446-91-9
PubChem CID172451495
IUPAC Name4-(3-chloro-2-fluorophenoxy)-N-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide
Molecular FormulaC45H49ClFN7O11S
Molecular Weight950.4
XLogP3.9
Topological Polar Surface Area254
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count23
Heavy Atom Count66
Formal Charge0
Complexity1670
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCOCCOCCOCCNC(=O)C4(CCC(CC4)OC5=C(C(=CC=C5)Cl)F)CC6=NC(=CC=C6)NC7=NC=CS7
InChI
InChI=1S/C45H49ClFN7O11S/c46-31-6-3-8-34(39(31)47)65-29-12-14-45(15-13-29,26-28-4-1-9-35(51-28)52-44-50-18-25-66-44)43(60)49-17-20-62-22-24-63-23-21-61-19-16-48-37(56)27-64-33-7-2-5-30-38(33)42(59)54(41(30)58)32-10-11-36(55)53-40(32)57/h1-9,18,25,29,32H,10-17,19-24,26-27H2,(H,48,56)(H,49,60)(H,50,51,52)(H,53,55,57)
InChIKey
ROINLDWZNWCWJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-chloro-2-fluorophenoxy)-N-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide
CAS: 3038446-91-9
CID: 172451495
Formula: C45H49ClFN7O11S
MW: 950.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight950.4
XLogP33.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count23
Exact Mass949.2883324
Monoisotopic Mass949.2883324
Topological Polar Surface Area254 Ų
Heavy Atom Count66
Formal Charge0
Complexity1670
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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