Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C30H42N8O3 |
| Molecular Weight | 562.7063 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C2N=CN=C3N)[C@H]4C[C@H](CCC5=NC6=C(N5)C=CC(=C6)C(C)(C)C)C4
InChI
InChIKey=LXFOLMYKSYSZQS-YKPYGOBTSA-N
InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17-,19-,22-,25-,26-,29-/m1/s1
DescriptionCurator's Comment: The description was created based on several sources, including
https://encrypted.google.com/patents/WO2012075381A1
Curator's Comment: The description was created based on several sources, including
https://encrypted.google.com/patents/WO2012075381A1
Pinometostat, trans- (9H-Purin-6-amine, 9-[5-deoxy-5-[[trans-3-[2-[6-(1,1-dimethylethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl](1-methyl ethyl)amino]-β-D-ribofuranosyl]-) is an isomer of Pinometostat, a small molecule inhibitor of histone methyltransferase with potential antineoplastic activity. Pinometostat, trans-specifically blocks the activity of the histone lysine-methyltransferase DOT1L, thereby inhibiting the methylation of nucleosomal histone H3 on lysine 79 (H3K79) that is bound to the mixed lineage leukemia (MLL) fusion protein which targets genes and blocks the expression of leukemogenic genes.
Originator
Approval Year
Sample Use Guides
Human leukemia cell line EOL-1 were used for activity evaluation. Exponentially growing EOL-1 cells were plated in 96-well plates at a density of 3×10^4 viable cells/well. Each treatment was seeded in triplicate with a final well volume of 150 μLs. Cells were incubated with increasing concentrations of DOT1L inhibitor up to 50 μΜ. Viable cell number was determined every 3 - 4 days for 11 days using the Guava Viacount assay (Millipore # 4000-0040) and analyzed on a Guava EasyCyte Plus instrument according to the manufacturer's protocol.
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1380288-88-9
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F66X4M38G5
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SUBSTANCE RECORD
