| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| A342040-1mg |
1mg |
期货  |
|
| 别名 | 盐酸阿利吉仑 |
|---|---|
| 英文别名 | AM84607 | Tox21_113592 | Aliskiren hydrochloride | (2S,4S,5S,7S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methylnonanamide hydrochloride | BSJUIBZAXCXFMZ-NATPOTRJSA-N | J-010902 | DTXSID |
| 英文名称 | Aliskiren Hydrochloride |
| 储存温度 | -20°C储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
Aliskiren Hydrochloride 是一种直接的肾素抑制剂，IC | 50 | = 0.72 nM。肾素是肾素-血管紧张素-醛固酮系统（RAAS）中的第一种酶，可将一种非活性肽血管紧张素原裂解为血管紧张素I。抑制肾素可防止这种裂解和随后的血管紧张素II受体活化。 Aliskiren hydrochloride is a direct renin inhibitor with an IC|50|= 0.72 nM. Renin is the first enzyme in the renin-angiotensin-aldosterone system (RAAS) and cleaves angiotensinogen, an inactive peptide, into angiotensin I. Inhibition of renin prevents this cleavage and subsequent activiation of angiotensin II receptors. |
| IC50 | Renin: IC₅₀= 0.6 nM (human); Cathepsin E: IC₅₀>10 μM (human); Cathepsin D: IC₅₀>10 μM (human); Pepsin A: IC₅₀>10 μM (human); Beta-secretase 1: IC₅₀>10 μM (human) |
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| 活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
|---|---|
| IUPAC Name | (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride |
| INCHI | InChI=1S/C30H53N3O6.ClH/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1H/t22-,23-,24-,25-;/m0./s1 |
| InChi Key | BSJUIBZAXCXFMZ-NATPOTRJSA-N |
| Canonical SMILES | CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.Cl |
| Isomeric SMILES | CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.Cl |
| RTECS | DA6613500 |
| PubChem CID | 23625795 |
| 分子量 | 588.22 |
| 溶解性 | Soluble in methanol, chloroform, and water. |
|---|---|
| 折光率 | n20D1.51 (Predicted) |
| 熔点 | 76-78° C |
| 分子量 | 588.200 g/mol |
| XLogP3 | |
| 氢键供体数Hydrogen Bond Donor Count | 5 |
| 氢键受体数Hydrogen Bond Acceptor Count | 7 |
| 可旋转键计数Rotatable Bond Count | 19 |
| 精确质量Exact Mass | 587.37 Da |
| 单同位素质量Monoisotopic Mass | 587.37 Da |
| 拓扑极表面积Topological Polar Surface Area | 146.000 Ų |
| 重原子数Heavy Atom Count | 40 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 717.000 |
| 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 | 4 |
| 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 | 2 |
| RTECS | DA6613500 |
|---|
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