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UNC1999

CAT: 0931-T3057-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T3057-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1431612-23-5
Target
Histone Methyltransferase, Autophagy
Related Pathways
Autophagy, Chromatin/Epigenetic
Purity
>99.99%
Bioactivity
UNC1999 is a orally bioavailable, effective and specific inhibitor of EZH2 (IC50=2 nM) and EZH1 (IC50=45) .
Smiles
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C
Molecular Formula
C33H43N7O2
Molecular Weight
569.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Unc1999

UNC1999 is a SAM-competitive, potent and selective inhibitor of EZH2/1.

CAS Number1431612-23-5
PubChem CID72551585
IUPAC NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
Molecular FormulaC33H43N7O2
Molecular Weight569.7
XLogP4.8
Topological Polar Surface Area95.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count42
Formal Charge0
Complexity1030
SMILES
CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)C(C)C)C(C)C
InChI
InChI=1S/C33H43N7O2/c1-7-8-24-15-23(6)37-33(42)28(24)19-35-32(41)27-16-26(17-30-29(27)20-36-40(30)22(4)5)25-9-10-31(34-18-25)39-13-11-38(12-14-39)21(2)3/h9-10,15-18,20-22H,7-8,11-14,19H2,1-6H3,(H,35,41)(H,37,42)
InChIKey
DPJNKUOXBZSZAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Unc1999
CAS: 1431612-23-5
CID: 72551585
Formula: C33H43N7O2
MW: 569.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight569.7
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass569.34782364
Monoisotopic Mass569.34782364
Topological Polar Surface Area95.4 Ų
Heavy Atom Count42
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
2449-5UNC1999
TBI4542-5MGUNC1999, Methyltransferase inhibitor
217350Ezh2/Ezh1 Inhibitor, UNC1999 (Enhancer of Zested Homolog 1 Inhibitor, 1-Isopropyl-6- (6- (4-isopropylpiperazin-1-yl) pyridin-3-yl) -N- ((6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl) methyl) -1H-indazole-4-carboxamide, Ezh1 Inhibitor, Ezh2 Inhibitor IV, HMTase Inhibitor XII, Histone Lysine Methyltransferase XII, Enhancer of Zested Homolog 2 Inhibitor IV)

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