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SUN-597

CAT: 0013-GTR19242425-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242425-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SUN-597 is a potent and selective GSK-3α/β inhibitor with Ki values of 0.3 nM and 0.05 nM, respectively. It is utilized in research on neurodegenerative diseases and cancer, demonstrating activity in both cellular and animal models, though its low aqueous solubility presents a formulation challenge.
CAS Number
1639397-97-9
Smiles
O (C (=O) C1=CC=CO1) [C@@]2 (C (SCC#CCOC (CC (C) (C) F) =O) =O) [C@]3 (C) [C@@] (C[C@H]2C) ([C@]4 ([C@] (F) ([C@@H] (O) C3) [C@]5 (C) C ([C@@H] (F) C4) =CC (=O) C=C5) [H]) [H]
Molecular Formula
C35H39F3O8S
Molecular Weight
676.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

P789X65Vwc
CAS Number1639397-97-9
PubChem CID86291051
IUPAC Name[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-[4-(3-fluoro-3-methylbutanoyl)oxybut-2-ynylsulfanylcarbonyl]-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
Molecular FormulaC35H39F3O8S
Molecular Weight676.7
XLogP5.2
Topological Polar Surface Area145
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count47
Formal Charge0
Complexity1460
SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCC#CCOC(=O)CC(C)(C)F)OC(=O)C5=CC=CO5)C)O)F)C)F
InChI
InChI=1S/C35H39F3O8S/c1-20-15-22-23-17-25(36)24-16-21(39)10-11-32(24,4)34(23,38)27(40)18-33(22,5)35(20,46-29(42)26-9-8-13-44-26)30(43)47-14-7-6-12-45-28(41)19-31(2,3)37/h8-11,13,16,20,22-23,25,27,40H,12,14-15,17-19H2,1-5H3/t20-,22+,23+,25+,27+,32+,33+,34+,35+/m1/s1
InChIKey
MUZXLBCSYZLBPO-APQFETTKSA-N
Chemical Structure
2D Structure
2D structure of P789X65Vwc
CAS: 1639397-97-9
CID: 86291051
Formula: C35H39F3O8S
MW: 676.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight676.7
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass676.23177386
Monoisotopic Mass676.23177386
Topological Polar Surface Area145 Ų
Heavy Atom Count47
Formal Charge0
Complexity1460
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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