| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| S613474-5mg |
5mg |
期货  |
| |
| S613474-25mg |
25mg |
期货 |
|
| 别名 | compound 26;SBP7455 |
|---|---|
| 英文别名 | compound 26;SBP7455 |
| 规格或纯度 | Moligand™ |
| 英文名称 | SBP-7455 |
| 作用类型 | 抑制剂 |
| 作用机制 | 类似 unc-51 的自噬激活激酶 1 抑制剂；类似 unc-51 的自噬激活激酶 2 抑制剂 |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 未知 |
|---|---|
| IUPAC Name | N4-cyclopropyl-N2-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine |
| INCHI | InChI=1S/C16H17F3N4O2/c1-24-12-6-5-10(7-13(12)25-2)22-15-20-8-11(16(17,18)19)14(23-15)21-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,20,21,22,23) |
| InChi Key | BQROJYIEHOOQBY-UHFFFAOYSA-N |
| Canonical SMILES | COc1cc(ccc1OC)Nc1ncc(c(n1)NC1CC1)C(F)(F)F |
| Isomeric SMILES | COC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3CC3)C(F)(F)F)OC |
| PubChem CID | 132178569 |
| 分子量 | 354.330 g/mol |
|---|---|
| XLogP3 | 3.800 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 9 |
| 可旋转键计数Rotatable Bond Count | 6 |
| 精确质量Exact Mass | 354.13 Da |
| 单同位素质量Monoisotopic Mass | 354.13 Da |
| 拓扑极表面积Topological Polar Surface Area | 68.300 Ų |
| 重原子数Heavy Atom Count | 25 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 436.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| 1. Ren H, Bakas NA, Vamos M, Chaikuad A, Limpert AS, Wimer CD, Brun SN, Lambert LJ, Tautz L, Celeridad M et al.. (2020) Design, Synthesis, and Characterization of an Orally Active Dual-Specific ULK1/2 Autophagy Inhibitor that Synergizes with the PARP Inhibitor Olaparib for the Treatment of Triple-Negative Breast Cancer.. J Med Chem, 63 (23): (14609-14625). [PMID:33200929] |
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