Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C30H47N5O2 |
| Molecular Weight | 509.7265 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC2=C(NC3CCN(CC3)C(C)C)N=C(N=C2C=C1OCCCN4CCCC4)C5CCCCC5
InChI
InChIKey=QOECJCJVIMVJGX-UHFFFAOYSA-N
InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)
DescriptionCurator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/24102134
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/24102134
UNC-0638, an inhibitor of G9a and GLP with excellent potency and selectivity over a wide range of epigenetic and non-epigenetic targets. UNC-0638 treatment of a variety of cell lines resulted in lower global H3K9me2 levels, equivalent to levels observed for small hairpin RNA knockdown of G9a and GLP with the functional potency of UNC-0638 being well separated from its toxicity. UNC0638 markedly reduced the clonogenicity of MCF7 cells, reduced the abundance of H3K9me2 marks at promoters of known G9a-regulated endogenous genes and disproportionately affected several genomic loci encoding microRNAs. In mouse embryonic stem cells, UNC-0638 reactivated G9a-silenced genes and a retroviral reporter gene in a concentration-dependent manner without promoting differentiation. UNC-0638 is not suitable for animal studies due to its poor pharmacokinetic (PK) properties.
Originator
Approval Year
Sample Use Guides
In MDA-MB-231 cells, UNC-0638 (48 h exposure) reduced H3K9me2 levels in a concentration-dependent manner with an IC50 of 81 ± 9 nM. UNC-0638 had high potency, ranging from 48 to 238 nM, in reducing H3K9me2 levels in breast, prostate, colon carcinomas and normal fibroblast cells, with the two prostate carcinoma cell lines, PC3 (IC50 = 59 nM) and 22RV1 (IC50 = 48 nM),
being the most sensitive
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26A103L2FO
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SUBSTANCE RECORD
