| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| A607683-5mg |
5mg |
期货  |
| |
| A607683-25mg |
25mg |
期货 |
|
| 别名 | 阿普拉韦罗 |
|---|---|
| 英文别名 | AK-602 | GW 873140 | GW873140A |
| 规格或纯度 | Moligand™ |
| 英文名称 | aplaviroc |
| 作用类型 | 拮抗剂 |
| 作用机制 | CCR5 拮抗剂 |
| 分子类型 | 小分子 |
|---|---|
| IIUPAC Name | 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid |
| INCHI | 1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1 |
| InChi Key | GWNOTCOIYUNTQP-FQLXRVMXSA-N |
| Smiles | CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)C(C5CCCCC5)O |
| Isomeric SMILES | CCCCN1C(=O)[C@H](NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)[C@@H](C5CCCCC5)O |
| 关联CAS | 461443-59-4 |
| PubChem CID | 3001322 |
| MeSH Entry Terms | 4-((4-(((3R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro(5.5)undec-9-yl)methyl)phenyl)oxy)benzoic acid hydrochloride;aplaviroc;benzoic acid, 4-(4-(((3R)-1-butyl-3-((R)-cyclohexylhydroxymethyl)-2,5-dioxo-1,4,9- triazaspiro(55)unde |
| 分子量 | 577.700 g/mol |
|---|---|
| XLogP3 | 3.100 |
| 氢键供体数Hydrogen Bond Donor Count | 3 |
| 氢键受体数Hydrogen Bond Acceptor Count | 7 |
| 可旋转键计数Rotatable Bond Count | 10 |
| 精确质量Exact Mass | 577.315 Da |
| 单同位素质量Monoisotopic Mass | 577.315 Da |
| 拓扑极表面积Topological Polar Surface Area | 119.000 Ų |
| 重原子数Heavy Atom Count | 42 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 915.000 |
| 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. Currier J, Lazzarin A, Sloan L, Clumeck N, Slims J, McCarty D, Steel H, Kleim JP, Bonny T, Millard J et al.. (2008) Antiviral activity and safety of aplaviroc with lamivudine/zidovudine in HIV-infected, therapy-naive patients: the ASCENT (CCR102881) study.. Antivir Ther (Lond.), 13 (2): (297-306). [PMID:18505181] |
| 2. Nichols WG, Steel HM, Bonny T, Adkison K, Curtis L, Millard J, Kabeya K, Clumeck N. (2008) Hepatotoxicity observed in clinical trials of aplaviroc (GW873140).. Antimicrob Agents Chemother, 52 (3): (858-65). [PMID:18070967] |
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