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UNC1999

CAT: 0804-HY-15646-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15646-01Size:5 mg
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Description
UNC1999, a chemical probe, is a SAM-competitive, potent and selective inhibitor of EZH2/1 with IC50s of <10 nM and 45 nM, repectively.
CAS Number
1431612-23-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Autophagy; Histone Methyltransferase
Type
Reference compound
Related Pathways
Autophagy; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/UNC1999.html
Purity
99.87
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : < 0.1 mg/mL (ultrasonic; warming; heat to 80°C)
Smiles
O=C1C(CNC(C2=C(C=NN3C(C)C)C3=CC(C4=CN=C(N5CCN(C(C)C)CC5)C=C4)=C2)=O)=C(CCC)C=C(C)N1
Molecular Formula
C33H43N7O2
Molecular Weight
569.74
Precautions
H302, H315, H319, H335
References & Citations
[1]Konze KD, et al. An Orally Bioavailable Chemical Probe of the Lysine Methyltransferases EZH2 and EZH1. ACS Chem Biol. 2013;8 (6) :1324-34.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
EZH1; EZH2

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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