| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| S613419-5mg |
5mg |
期货  |
| |
| S613419-25mg |
25mg |
期货 |
|
| 别名 | 沙勒度坦 |
|---|---|
| 英文别名 | N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide | [3H]SR48,968 | W-106163 | GTPL2111 | UNII-720U2QK8I5 | Benzamide, N-(4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methyl-, (S)- | |
| 规格或纯度 | Moligand™ |
| 英文名称 | saredutant |
| 作用类型 | 拮抗剂 |
| 作用机制 | 神经激肽 2 受体拮抗剂 |
| ALogP | 5.9 |
|---|
| 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 | N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide |
| INCHI | 1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1 |
| InChi Key | PGKXDIMONUAMFR-AREMUKBSSA-N |
| Smiles | CC(=O)NC1(CCN(CC1)CCC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4 |
| Isomeric SMILES | CC(=O)NC1(CCN(CC1)CC[C@H](CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4 |
| 关联CAS | 142001-63-6 |
| PubChem CID | 104974 |
| MeSH Entry Terms | (S)-N-methyl-N(4-(4-acetylamino-4-phenylpiperidino)-2-(3,4-dichlorophenyl)butyl)benzamide;saredutant;SR 48965;SR 48968;SR 48968C;SR-48968;SR-48968C;SR48968;SR48968C |
| 分子量 | 552.5 |
| 分子量 | 552.500 g/mol |
|---|---|
| XLogP3 | 5.900 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 3 |
| 可旋转键计数Rotatable Bond Count | 9 |
| 精确质量Exact Mass | 551.211 Da |
| 单同位素质量Monoisotopic Mass | 551.211 Da |
| 拓扑极表面积Topological Polar Surface Area | 52.700 Ų |
| 重原子数Heavy Atom Count | 38 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 760.000 |
| 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 | 1 |
| 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. Overstreet DH, Naimoli VM, Griebel G. (2010) Saredutant, an NK2 receptor antagonist, has both antidepressant-like effects and synergizes with desipramine in an animal model of depression.. Pharmacol Biochem Behav, 96 (2): (206-10). [PMID:20470817] |
| 2. Rogacki N, Lopez-Grancha M, Naimoli V, Potestio L, Stevens RJ, Pichat P, Bergis OE, Cohen C, Varty GB, Griebel G. (2011) The neurokinin NK2 antagonist, saredutant, ameliorates stress-induced conditions without impairing cognition.. Pharmacol Biochem Behav, 98 (3): (405-11). [PMID:21115031] |
| 3. Tamburella A, Leggio GM, Micale V, Navarria A, Bucolo C, Cicirata V, Drago F, Salomone S. (2013) Behavioural and neurochemical changes induced by stress-related conditions are counteracted by the neurokinin-2 receptor antagonist saredutant.. Int J Neuropsychopharmacol, 16 (4): (813-23). [PMID:22695046] |
| 4. Hopkins CR. (2010) ACS chemical neuroscience molecule spotlight on Saredutant.. ACS Chem Neurosci, 1 (10): (653-4). [PMID:22776916] |
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