| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| M421800-1ml |
1ml |
现货  |
|
| 别名 | 孟鲁司特钠 水合物 |
|---|---|
| 英文别名 | AKOS015994699 | BCP26683 | Singular | sodium 2-[1-({[(1R)-1-{3-[(1E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl}methyl)cyclopropyl]acetate | J-522711 | DTXSID8046450 | NSC 759107 | Montelukast sodium- Bio-X |
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | Montelukast sodium hydrate |
| 生化机理 | 孟鲁司特钠（Singulair）是一种强效、选择性、抗炎的 CysLT1 受体拮抗剂（IC50 < 5nM），对 CysLT2 受体无明显影响。在大鼠结肠炎中，孟鲁司特钠（Singulair）被证明能够增加 PGE2 的产生并降低 COX-2 的表达。对白三烯--尤其是白三烯-4（一种生物活性介质，在控制涉及肺和免疫系统功能的多种生化途径中发挥重要作用）的抑制具有竞争性。特异性 CysLT1 受体拮抗剂。具有抗炎和抗哮喘作用。具有口服活性。在体外和体内均有活性。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 拮抗剂 |
| 作用机制 | 胱氨酰白三烯受体 1 拮抗剂 |
| 产品介绍 |
Montelukast sodium hydrate is a leukotriene receptor antagonist (LTRA) used for the maintenance treatment of asthma and to relieve symptoms of seasonal allergies. It is a subtype specific CysLT1 receptor antagonist. |
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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 | sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate |
| INCHI | InChI=1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/b15-10+;/t32-;/m1./s1 |
| InChi Key | LBFBRXGCXUHRJY-HKHDRNBDSA-M |
| Canonical SMILES | CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.[Na+] |
| Isomeric SMILES | CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.[Na+] |
| RTECS | GZ0698000 |
| 关联CAS | 158966-92-8 |
| 分子量 | 608.17 (anhydrous basis) |
| Reaxy-Rn | 38259659 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38259659&ln= |
| 敏感性 | 对湿度敏感;对空气敏感;对光线敏感 |
|---|---|
| 比旋光度 | +95.0 to +105.0 deg(C=1、MeOH) |
| 熔点 | 115 °C(dec.) |
| 分子量 | 608.200 g/mol |
| XLogP3 | |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 5 |
| 可旋转键计数Rotatable Bond Count | 12 |
| 精确质量Exact Mass | 607.192 Da |
| 单同位素质量Monoisotopic Mass | 607.192 Da |
| 拓扑极表面积Topological Polar Surface Area | 98.600 Ų |
| 重原子数Heavy Atom Count | 42 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 897.000 |
| 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 | 1 |
| 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 | 1 |
| 共价键合单元计数Covalently-Bonded Unit Count | 2 |
| RTECS | GZ0698000 |
|---|---|
| Reaxy-Rn | 38259659 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38259659&ln= |
| Merck Index | 6258 |
| Concentration(Compounding value) | 9-11(mmol/L) |
|---|---|
| Record the entire process by video | Conform |
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