(2R,3R,4S,5R)-2-(6-Amino-9H-Purin-9-Yl)-5-(((Cis-3-(2-(5-(Tert-Butyl)-1H-Benzo[D]Imidazol-2-Yl)Ethyl)Cyclobutyl)(Isopropyl)Amino)Methyl)Tetrahydrofuran-3,4-Diol (2R,3R,4S,5R)-2-(6-氨基-9H-嘌呤-9-基)-5-(((顺式-3-(2-(5-(叔丁基)-1H-苯并[d]咪唑-2-基)乙基)环丁基)(异丙基)氨基)甲基)四氢呋喃-3,4-二醇
CAS 1380288-87-8 MFCD480288878
化学结构图
SMILES: CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1
化学属性
| Mol. Formula | C30H42N8O3 |
|---|---|
| Mol. Weight | 562.71 |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | (2R,3R,4S,5R)-2-(6-Amino-9H-Purin-9-Yl)-5-(((Cis-3-(2-(5-(Tert-Butyl)-1H-Benzo[D]Imidazol-2-Yl)Ethyl)Cyclobutyl)(Isopropyl)Amino)Methyl)Tetrahydrofuran-3,4-Diol |
|---|---|
| Chemical Name Translation | (2R,3R,4S,5R)-2-(6-氨基-9H-嘌呤-9-基)-5-(((顺式-3-(2-(5-(叔丁基)-1H-苯并[d]咪唑-2-基)乙基)环丁基)(异丙基)氨基)甲基)四氢呋喃-3,4-二醇 |
| Chemicalbook ID | CB42652298 |
| Formula | C30H42N8O3 |
| Synonym | EPZ5676; EPZ-5676; EPZ 5676; Pinometostat. |
| IUPAC Name | (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]imidazol-2-yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diol |
| InChIKey | LXFOLMYKSYSZQS-LURJZOHASA-N |
| InChI | 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 |
| Canonical SMILES | O[C@H]1[C@H](N2C=NC3=C(N)N=CN=C23)O[C@H](CN([C@H]4C[C@@H](CCC5=NC6=CC(C(C)(C)C)=CC=C6N5)C4)C(C)C)[C@H]1O |
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产品应用
- Pinometostat, also known as EPZ-5676, is a small molecule inhibitor of histone methyltransferase with potential antineoplastic activity. Upon intravenous administration, EPZ-5676 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.
