| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| S613682-5mg |
5mg |
期货  |
| |
| S613682-25mg |
25mg |
期货 |
|
| 别名 | compound 4 | SQ 24798 | SQ-24798 |
|---|---|
| 英文别名 | Q27088854 | DTXSID40989901 | 5-(diaminomethylideneamino)-2-(sulfanylmethyl)pentanoic acid | 5-carbamimidamido-2-(sulfanylmethyl)pentanoic acid | SQ 24798 | SQ-24,798 | SQ 24,798 | BDBM50201438 | (+/-)-5-guanidino-2-(mercaptomethyl)pentanoic acid | 2-Merca |
| 规格或纯度 | Moligand™ |
| 英文名称 | SQ-24,798 |
| 作用类型 | 抑制剂 |
| 作用机制 | 羧肽酶 B2 抑制剂（血浆）;羧肽酶 N 抑制剂; 多肽 1 |
| 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 | 5-(diaminomethylideneamino)-2-(sulfanylmethyl)pentanoic acid |
| INCHI | 1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10) |
| InChi Key | JOVIPJZDTSYNNW-UHFFFAOYSA-N |
| Smiles | SCC(C(=O)O)CCCN=C(N)N |
| Isomeric SMILES | C(CC(CS)C(=O)O)CN=C(N)N |
| PubChem CID | 194328 |
| 分子量 | 205.280 g/mol |
|---|---|
| XLogP3 | -0.800 |
| 氢键供体数Hydrogen Bond Donor Count | 4 |
| 氢键受体数Hydrogen Bond Acceptor Count | 4 |
| 可旋转键计数Rotatable Bond Count | 6 |
| 精确质量Exact Mass | 205.088 Da |
| 单同位素质量Monoisotopic Mass | 205.088 Da |
| 拓扑极表面积Topological Polar Surface Area | 103.000 Ų |
| 重原子数Heavy Atom Count | 13 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 192.000 |
| 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 | 1 |
| 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. Bunnage ME, Blagg J, Steele J, Owen DR, Allerton C, McElroy AB, Miller D, Ringer T, Butcher K, Beaumont K et al.. (2007) Discovery of potent & selective inhibitors of activated thrombin-activatable fibrinolysis inhibitor for the treatment of thrombosis.. J Med Chem, 50 (24): (6095-103). [PMID:17990866] |
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