计算溶液所需的质量、体积或浓度。
活性类型 | 活性值-log(M) | 作用机制 | 期刊 | 参考文献(PubMed IDs) |
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货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
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D178502-1mg |
1mg |
现货 ![]() |
| |
D178502-5mg |
5mg |
现货 ![]() |
| |
D178502-10mg |
10mg |
现货 ![]() |
| |
D178502-25mg |
25mg |
现货 ![]() |
| |
D178502-50mg |
50mg |
现货 ![]() |
| |
D178502-100mg |
100mg |
现货 ![]() |
|
英文别名 | AKOS030527036 | SCHEMBL1198688 | GTPL8500 | HY-B1568 | UNII-R318PGH5VP | SPBio_002358 | MLS003899212 | EX-A1178 | GSK1325756B | GSK-1325756B | HY-19768 | AC-36168 | KBio1_000455 | GSK 1325756 | GSK1325756 | GSK-1325756 | DANIRIXIN [INN] | D10387 | Danirix |
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规格或纯度 | Moligand™, ≥97% |
英文名称 | danirixin |
储存温度 | -20°C储存 |
运输条件 | 超低温冰袋运输 |
作用类型 | 拮抗剂 |
作用机制 | 白细胞介素-8 受体 B 拮抗剂 |
产品介绍 |
Danirixin (GSK1325756)是高亲和力的选择性CXCR2拮抗剂,抑制CXCL8 (IL-8)结合的IC50值为12.5 nM。 Product description: Danirixin is a selective, and reversible CXCR2 antagonist, with IC50 of 12.5 nM for CXCL8. |
ALogP | 3.1 |
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作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
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PubChem SID | 504769826 |
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分子类型 | 小分子 |
IUPAC Name | 1-[4-chloro-2-hydroxy-3-[(3S)-piperidin-3-yl]sulfonylphenyl]-3-(3-fluoro-2-methylphenyl)urea |
INCHI | InChI=1S/C19H21ClFN3O4S/c1-11-14(21)5-2-6-15(11)23-19(26)24-16-8-7-13(20)18(17(16)25)29(27,28)12-4-3-9-22-10-12/h2,5-8,12,22,25H,3-4,9-10H2,1H3,(H2,23,24,26)/t12-/m0/s1 |
InChi Key | NGYNBSHYFOFVLS-LBPRGKRZSA-N |
Canonical SMILES | CC1=C(C=CC=C1F)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)C3CCCNC3)O |
Isomeric SMILES | CC1=C(C=CC=C1F)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)[C@H]3CCCNC3)O |
分子量 | 441.90 |
Reaxy-Rn | 15568900 |
Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15568900&ln= |
溶解性 | DMSO:88mg/mL (199.14mM);Ethanol:Insoluble;H2O:Insoluble |
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分子量 | 441.900 g/mol |
XLogP3 | 3.100 |
氢键供体数Hydrogen Bond Donor Count | 4 |
氢键受体数Hydrogen Bond Acceptor Count | 6 |
可旋转键计数Rotatable Bond Count | 4 |
精确质量Exact Mass | 441.093 Da |
单同位素质量Monoisotopic Mass | 441.093 Da |
拓扑极表面积Topological Polar Surface Area | 116.000 Ų |
重原子数Heavy Atom Count | 29 |
形式电荷Formal Charge | 0 |
复杂度Complexity | 677.000 |
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 |
象形图 | GHS08, GHS07 |
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信号词 | Warning |
危险声明 |
H373: 通过长时间或反复暴露对器官造成损害 H302: 吞食有害 H361: 怀疑破坏生育力或未出生的孩子 |
预防措施声明 |
P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。 P203: 使用前,获取、阅读并遵守所有安全说明。 P318: 如果暴露或担心,请就医。 P319: 如果你感到不适,请寻求医疗帮助。 |
Reaxy-Rn | 15568900 |
Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15568900&ln= |
Purity(HPLC) | 97-100(%) |
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NMR Spectrum 1H | Conforms to Structure |
1. Miller BE, Mistry S, Smart K, Connolly P, Carpenter DC, Cooray H, Bloomer JC, Tal-Singer R, Lazaar AL. (2015) The pharmacokinetics and pharmacodynamics of danirixin (GSK1325756) - a selective CXCR2 antagonist - in healthy adult subjects.. BMC Pharmacol Toxicol, 16 (1): (18). [PMID:26092545] [10.1021/op500134e] |
2. Lazaar AL, Miller BE, Tabberer M, Yonchuk J, Leidy N, Ambery C, Bloomer J, Watz H, Tal-Singer R. (2018) Effect of the CXCR2 antagonist danirixin on symptoms and health status in COPD.. Eur Respir J, 52 (4): (1755-70). [PMID:30139779] [10.1021/op500134e] |