| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| T614311-5mg |
5mg |
期货  |
| |
| T614311-25mg |
25mg |
期货 |
|
| 别名 | TAK 220 | TAK220 |
|---|---|
| 英文别名 | 1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]-1-piperidyl]propyl]-N-(3-chloro-4-methyl-phenyl)piperidine-4-carboxamide | A913339 | 1-acetyl-N-(3-{4-((4-carbamoylphenyl)methyl)piperidin-1-yl}propyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide | AKOS |
| 规格或纯度 | Moligand™ |
| 英文名称 | TAK-220 |
| 作用类型 | 拮抗剂 |
| 作用机制 | CCR5 拮抗剂 |
| 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 | 小分子 |
|---|---|
| IIUPAC Name | 1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide |
| INCHI | 1S/C31H41ClN4O3/c1-22-4-9-28(21-29(22)32)36(31(39)27-12-18-35(19-13-27)23(2)37)15-3-14-34-16-10-25(11-17-34)20-24-5-7-26(8-6-24)30(33)38/h4-9,21,25,27H,3,10-20H2,1-2H3,(H2,33,38) |
| InChi Key | ASSJTMUEFHUKMJ-UHFFFAOYSA-N |
| Smiles | CC(=O)N1CCC(CC1)C(=O)N(c1ccc(c(c1)Cl)C)CCCN1CCC(CC1)Cc1ccc(cc1)C(=O)N |
| Isomeric SMILES | CC1=C(C=C(C=C1)N(CCCN2CCC(CC2)CC3=CC=C(C=C3)C(=O)N)C(=O)C4CCN(CC4)C(=O)C)Cl |
| PubChem CID | 5275766 |
| 分子量 | 553.100 g/mol |
|---|---|
| XLogP3 | 4.200 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 4 |
| 可旋转键计数Rotatable Bond Count | 9 |
| 精确质量Exact Mass | 552.287 Da |
| 单同位素质量Monoisotopic Mass | 552.287 Da |
| 拓扑极表面积Topological Polar Surface Area | 87.000 Ų |
| 重原子数Heavy Atom Count | 39 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 817.000 |
| 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 |
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