| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| I611055-5mg |
5mg |
期货  |
| |
| I611055-25mg |
25mg |
期货 |
|
| 别名 | compound 13 | INCB 3284 |
|---|---|
| 英文别名 | NCGC00370911-04 | SCHEMBL14281986 | MS-29653 | 0W6K09GAQB | 5(6H)-Quinazolinone, 2-amino-7-(2-furanyl)-7,8-dihydro- | NXZNYBUBXWWKCP-LDJSFYOUSA-N | HY-15450A | INCB003284 | INCB3284 free base | SCHEMBL5058151 | Benzamide, N-(2-(((3R)-1-(trans-4-hydroxy-4- |
| 规格或纯度 | Moligand™ |
| 英文名称 | INCB3284 |
| 作用类型 | 拮抗剂 |
| 作用机制 | CCR2 拮抗剂 |
| IIUPAC Name | N-[2-[[(3R)-1-[4-hydroxy-4-(6-methoxypyridin-3-yl)cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide |
|---|---|
| INCHI | 1S/C26H31F3N4O4/c1-37-23-6-5-19(14-30-23)25(36)10-7-21(8-11-25)33-12-9-20(16-33)32-22(34)15-31-24(35)17-3-2-4-18(13-17)26(27,28)29/h2-6,13-14,20-21,36H,7-12,15-16H2,1H3,(H,31,35)(H,32,34)/t20-,21?,25?/m1/s1 |
| InChi Key | NXZNYBUBXWWKCP-JMOWIOHXSA-N |
| Smiles | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |
| Isomeric SMILES | COC1=NC=C(C=C1)C2(CCC(CC2)N3CC[C@H](C3)NC(=O)CNC(=O)C4=CC(=CC=C4)C(F)(F)F)O |
| PubChem CID | 11527661 |
| 分子量 | 520.500 g/mol |
|---|---|
| XLogP3 | 2.800 |
| 氢键供体数Hydrogen Bond Donor Count | 3 |
| 氢键受体数Hydrogen Bond Acceptor Count | 9 |
| 可旋转键计数Rotatable Bond Count | 7 |
| 精确质量Exact Mass | 520.23 Da |
| 单同位素质量Monoisotopic Mass | 520.23 Da |
| 拓扑极表面积Topological Polar Surface Area | 104.000 Ų |
| 重原子数Heavy Atom Count | 37 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 790.000 |
| 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 |
| 1. Xue CB, Feng H, Cao G, Huang T, Glenn J, Anand R, Meloni D, Zhang K, Kong L, Wang A et al.. (2011) Discovery of INCB3284, a Potent, Selective, and Orally Bioavailable hCCR2 Antagonist.. ACS Med Chem Lett, 2 (6): (450-4). [PMID:24900329] |
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