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SZU-B6

CAT: 0013-GTR19239870-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239870-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SZU-B6 is a potent and cell-active PROTAC degrader of SIRT6, demonstrating anti-proliferative, pro-apoptotic, and cell cycle arrest effects in hepatocellular carcinoma cells in vitro and anti-tumor efficacy in murine models in vivo.
CAS Number
3059333-98-8
Field of Research
Cell Biology, Epigenetics & Chromatin, Molecular Biology, Pharmacology & Drug Discovery
Smiles
O=C1C2=CC (F) =C (C=C2C (=O) N1C3C (=O) NC (=O) CC3) N4CCC (CN5CCN (C6=CC=C (C (N) =C6) N (=O) =O) CC5) CC4
Molecular Formula
C29H32FN7O6
Molecular Weight
593.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[4-[[4-(3-Amino-4-nitrophenyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
CAS Number3059333-98-8
PubChem CID172562033
IUPAC Name5-[4-[[4-(3-amino-4-nitrophenyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
Molecular FormulaC29H32FN7O6
Molecular Weight593.6
XLogP2.4
Topological Polar Surface Area165
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count43
Formal Charge0
Complexity1120
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=CC(=C(C=C3C2=O)F)N4CCC(CC4)CN5CCN(CC5)C6=CC(=C(C=C6)[N+](=O)[O-])N
InChI
InChI=1S/C29H32FN7O6/c30-21-14-19-20(29(41)36(28(19)40)24-3-4-26(38)32-27(24)39)15-25(21)35-7-5-17(6-8-35)16-33-9-11-34(12-10-33)18-1-2-23(37(42)43)22(31)13-18/h1-2,13-15,17,24H,3-12,16,31H2,(H,32,38,39)
InChIKey
LYSCIXOLYLBNGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[4-[[4-(3-Amino-4-nitrophenyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
CAS: 3059333-98-8
CID: 172562033
Formula: C29H32FN7O6
MW: 593.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight593.6
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass593.23980993
Monoisotopic Mass593.23980993
Topological Polar Surface Area165 Ų
Heavy Atom Count43
Formal Charge0
Complexity1120
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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