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UNC2399

CAT: 0013-GTR19189105Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189105Size:5 mg
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Description
UNC2399 is a potent and selective EZH2 degrader derived from UNC1999. It demonstrates high in vitro potency with an IC50 of 17 nM and is a valuable chemical probe for studying histone methylation biology in cancer and other epigenetic research fields.
CAS Number
2412791-72-9
Field of Research
Epigenetics & Chromatin
Smiles
[H][C@]12CS[C@@H] (CCCCC (=O) NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC (=O) N3CCN (CC3) c3ccc (cn3) -c3cc (C (=O) NCc4c (CCC) cc (C) [nH]c4=O) c4cnn (C (C) C) c4c3) [C@@]1 ([H]) NC (=O) N2
Molecular Formula
C67H104N10O17S
Molecular Weight
1353.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-[6-[4-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]-3-pyridinyl]-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CAS Number2412791-72-9
PubChem CID118732748
IUPAC Name6-[6-[4-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]-3-pyridinyl]-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
Molecular FormulaC67H104N10O17S
Molecular Weight1353.7
XLogP1.5
Topological Polar Surface Area319
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count21
Rotatable Bond Count52
Heavy Atom Count95
Formal Charge0
Complexity2270
SMILES
CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C(C)C
InChI
InChI=1S/C67H104N10O17S/c1-5-8-52-43-51(4)72-66(81)56(52)47-70-65(80)55-44-54(45-59-57(55)48-71-77(59)50(2)3)53-11-12-61(69-46-53)75-15-17-76(18-16-75)63(79)13-19-83-21-23-85-25-27-87-29-31-89-33-35-91-37-39-93-41-42-94-40-38-92-36-34-90-32-30-88-28-26-86-24-22-84-20-14-68-62(78)10-7-6-9-60-64-58(49-95-60)73-67(82)74-64/h11-12,43-46,48,50,58,60,64H,5-10,13-42,47,49H2,1-4H3,(H,68,78)(H,70,80)(H,72,81)(H2,73,74,82)/t58-,60-,64-/m0/s1
InChIKey
PSDIDGKZEPMSHC-FRQYIUQJSA-N
Chemical Structure
2D Structure
2D structure of 6-[6-[4-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]-3-pyridinyl]-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CAS: 2412791-72-9
CID: 118732748
Formula: C67H104N10O17S
MW: 1353.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1353.7
XLogP31.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count21
Rotatable Bond Count52
Exact Mass1352.73016306
Monoisotopic Mass1352.73016306
Topological Polar Surface Area319 Ų
Heavy Atom Count95
Formal Charge0
Complexity2270
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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