| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| I611056-5mg |
5mg |
期货  |
| |
| I611056-25mg |
25mg |
期货 |
|
| 别名 | compound 52 | INCB-3619 |
|---|---|
| 英文别名 | GTPL8679 | 5-Azaspiro(2.5)octane-5-carboxylic acid, 6-((3,6-dihydro-4-phenyl-1(2H)-pyridinyl)carbonyl)-7-((hydroxyamino)carbonyl)-, methyl ester, (6S,7S)- | (6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,2,3,6-tetrahydropyridine-1-carbonyl)-5-azas |
| 规格或纯度 | Moligand™ |
| 英文名称 | INCB3619 |
| 作用类型 | 抑制剂 |
| 作用机制 | ADAM33 抑制剂;ADAM8 抑制剂 |
| 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 | methyl (5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl3,6-dihydro-2H-pyridine-1-carbonyl)-7-azaspiro[2.5]octane-7-carboxylate |
| INCHI | 1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1 |
| InChi Key | CKZHFOKQZRZCPF-ROUUACIJSA-N |
| Smiles | ONC(=O)[C@H]1CC2(CC2)CN([C@@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)OC |
| Isomeric SMILES | COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N3CCC(=CC3)C4=CC=CC=C4)C(=O)NO |
| PubChem CID | 11625778 |
| 分子量 | 413.500 g/mol |
|---|---|
| XLogP3 | 1.100 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 5 |
| 可旋转键计数Rotatable Bond Count | 4 |
| 精确质量Exact Mass | 413.195 Da |
| 单同位素质量Monoisotopic Mass | 413.195 Da |
| 拓扑极表面积Topological Polar Surface Area | 99.200 Ų |
| 重原子数Heavy Atom Count | 30 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 726.000 |
| 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 | 2 |
| 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. Georgiadis D, Yiotakis A. (2008) Specific targeting of metzincin family members with small-molecule inhibitors: progress toward a multifarious challenge.. Bioorg Med Chem, 16 (19): (8781-94). [PMID:18790648] |
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