| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| A607690-5mg |
5mg |
期货  |
| |
| A607690-25mg |
25mg |
期货 |
|
| 别名 | 阿普拉司他 |
|---|---|
| 英文别名 | AKOS040741161 | (S)-4-[4-(4-Hydroxy-but-2-ynyloxy)-benzenesulfonyl]-2,2-dimethyl-thiomorpholine-3-carboxylic acid hydroxyamide | SMR004701369 | TMI005 | TMI-005 | Apratastat (USAN/INN) | compound 5h [PMID: 16426848] | Apratastat, >=98% (HPLC) | D08859 | D |
| 规格或纯度 | Moligand™ |
| 英文名称 | apratastat |
| 作用类型 | 抑制剂 |
| 作用机制 | ADAM17 抑制剂 |
| ALogP | 0.3 |
|---|
| 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 | (3S)-N-hydroxy-4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide |
| INCHI | 1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1 |
| InChi Key | MAVDNGWEBZTACC-HNNXBMFYSA-N |
| Smiles | CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)NO)C |
| Isomeric SMILES | CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)NO)C |
| PubChem CID | 11452716 |
| 分子量 | 414.5 |
| 分子量 | 414.500 g/mol |
|---|---|
| XLogP3 | 0.300 |
| 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 | 5 |
| 精确质量Exact Mass | 414.092 Da |
| 单同位素质量Monoisotopic Mass | 414.092 Da |
| 拓扑极表面积Topological Polar Surface Area | 150.000 Ų |
| 重原子数Heavy Atom Count | 27 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 683.000 |
| 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 | 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 |
| RIDADR | NONHforallmodesoftransport |
|---|
| 1. Konttinen YT, Ainola M, Valleala H, Ma J, Ida H, Mandelin J, Kinne RW, Santavirta S, Sorsa T, López-Otín C et al.. (1999) Analysis of 16 different matrix metalloproteinases (MMP-1 to MMP-20) in the synovial membrane: different profiles in trauma and rheumatoid arthritis.. Ann Rheum Dis, 58 (11): (691-7). [PMID:10531073] |
| 2. Yoshihara Y, Nakamura H, Obata K, Yamada H, Hayakawa T, Fujikawa K, Okada Y. (2000) Matrix metalloproteinases and tissue inhibitors of metalloproteinases in synovial fluids from patients with rheumatoid arthritis or osteoarthritis.. Ann Rheum Dis, 59 (6): (455-61). [PMID:10834863] |
| 3. Thabet MM, Huizinga TW. (2006) Drug evaluation: apratastat, a novel TACE/MMP inhibitor for rheumatoid arthritis.. Curr Opin Investig Drugs, 7 (11): (1014-9). [PMID:17117591] |
| 4. Levin JI, Chen JM, Laakso LM, Du M, Schmid J, Xu W, Cummons T, Xu J, Jin G, Barone D et al.. (2006) Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates.. Bioorg Med Chem Lett, 16 (6): (1605-9). [PMID:16426848] |
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