| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| M421819-1ml |
1ml |
现货  |
|
| 英文别名 | ML355 | 1532593-30-8 | ML355 free base | ML-355 | VLX-1005 | N-(1,3-benzothiazol-2-yl)-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzenesulfonamide | JKU4XCC48Y | CHEMBL3113165 | ML 355 | N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfo |
|---|---|
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | ML355 |
| 生化机理 | ML355 是一种强效的人 12 脂氧合酶选择性抑制剂，其 IC50 值为 290 nM，对相关脂氧合酶和环氧合酶具有极佳的选择性。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 抑制剂 |
| 作用机制 | 12S-LOX 抑制剂 |
| 产品介绍 |
Information ML355 ML355 is a potent and selective inhibitor of human 12-Lipoxygenase with an IC50 of 290 nM and shows excellent selectivity over related lipoxygenases and cyclooxygenases. Targets 12-LOX In vitro ML355 displays nM potency against 12-LOX and excellent selectivity over related lipoxygenases and cyclooxygenases. In vivo In vivo PK studies where ML355 is administered as a solution via IV (3mpk) and PO (30mpk) demonstrated that ML355 is orally bioavailable (%F = 20) with good half-life (T1/2 = 2.9 hours). At 30 mpk dosing, ML355 achieves a Cmax of over 135 times the in vitro IC50 and remains over IC50 value for over 12 hours. The compound has low clearance (3.4 mL/min/kg) and good overall exposure (AUCinf) of 38 µM. Although, the volume of distribution (VD) observed is low (0.55 L/kg), the rest of the PK profiling results suggest a reasonable distribution between tissue and blood. |
| ALogP | 4.077 |
|---|---|
| HBD Count | 3 |
| Rotatable Bond | 7 |
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| 分子类型 | 小分子 |
|---|---|
| IUPAC Name | N-(1,3-benzothiazol-2-yl)-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzenesulfonamide |
| INCHI | InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24) |
| InChi Key | OWHBVKBNNRYMIN-UHFFFAOYSA-N |
| Canonical SMILES | COC1=CC=CC(=C1O)CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4S3 |
| Isomeric SMILES | COC1=CC=CC(=C1O)CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4S3 |
| PubChem CID | 70701426 |
| 分子量 | 441.52 |
| DMSO(mg / mL) Max Solubility | 88 |
|---|---|
| DMSO(mM) Max Solubility | 199.311469469107 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 441.500 g/mol |
| XLogP3 | 4.300 |
| 氢键供体数Hydrogen Bond Donor Count | 3 |
| 氢键受体数Hydrogen Bond Acceptor Count | 8 |
| 可旋转键计数Rotatable Bond Count | 7 |
| 精确质量Exact Mass | 441.082 Da |
| 单同位素质量Monoisotopic Mass | 441.082 Da |
| 拓扑极表面积Topological Polar Surface Area | 137.000 Ų |
| 重原子数Heavy Atom Count | 30 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 651.000 |
| 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 |
| Concentration(Compounding value) | 9.0-11.0(mmol/L) |
|---|---|
| Appearance(Light yellow-green Liquid) | Pass |
| Record the entire process by video | Conform |
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