| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| D420763-1ml |
1ml |
现货  |
|
| 英文别名 | duloxetine | 116539-59-4 | (S)-Duloxetine | Yentreve | (S)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine | LY 248686 | HSDB 7368 | LY248686 | UNII-O5TNM5N07U | methyl[(3S)-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propyl]amine | O5TNM5N07U | Duloxetine (INN) | CH |
|---|---|
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | Duloxetine |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 抑制剂 |
| 作用机制 | 5-HT 2A 受体拮抗剂；5-HT 2C 受体拮抗剂；5-HT 6 受体拮抗剂；NET 抑制剂；SERT 抑制剂 |
| 产品介绍 |
度洛西汀是ST和SLC6A2抑制剂（5-羟色胺-去甲肾上腺素再摄取抑制剂/ SNRI）。 Duloxetine is an ST and SLC6A2 inhibitor (serotonin-norepinephrine reuptake inhibitor/SNRI). |
| pKa值 | pKa: 10.02 (Predicted) |
|---|---|
| Ki Data | ST: Ki= 0.5 nM (human); rat: Ki= 4.6 nM; SLC6A2: Ki= 5.97 nM (human); Histamine H3 receptor: Ki>5 μM (human) |
| IC50 | ST: IC₅₀= 3 nM (human); SLC6A2: IC₅₀= 4 nM (human); DATSlc6a3: IC₅₀= 370 nM (human) |
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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 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IUPAC Name | (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine |
| INCHI | InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 |
| InChi Key | ZEUITGRIYCTCEM-KRWDZBQOSA-N |
| Canonical SMILES | CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32 |
| Isomeric SMILES | CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32 |
| 分子量 | 297.42 |
| Beilstein号 | 4297128 |
| Reaxy-Rn | 8842375 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8842375&ln= |
| 折光率 | n20D1.63 (Predicted) |
|---|---|
| 比旋光度 | α20D+120.5°±4.5°, c = 1 in methanol |
| 沸点 | 466.2° C at 760 mmHg |
| 熔点 | 156.99° C (Predicted) |
| 分子量 | 297.400 g/mol |
| XLogP3 | 4.300 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 3 |
| 可旋转键计数Rotatable Bond Count | 6 |
| 精确质量Exact Mass | 297.119 Da |
| 单同位素质量Monoisotopic Mass | 297.119 Da |
| 拓扑极表面积Topological Polar Surface Area | 49.500 Ų |
| 重原子数Heavy Atom Count | 21 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 312.000 |
| 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 |
|---|---|
| 信号词 | Warning |
| 危险声明 |
H351: 怀疑引起遗传缺陷 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。。。 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。 |
| Reaxy-Rn | 8842375 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8842375&ln= |
| concentration | 9.0-11.0（mmol/L） |
|---|---|
| NMR Spectrum 1H | Conforms to structure |
| 1. Jiao-Zhao Yan, Guang-Xiang Li, Si-Rui Sun, Lin-Yu Cui, Yong-Yu Yin, Yun-Feng Li. (2024) A rate-limiting step in antidepressants onset: Excitation of glutamatergic pyramidal neurons in medial prefrontal cortex of rodents. PROGRESS IN NEURO-PSYCHOPHARMACOLOGY & BIOLOGICAL PSYCHIATRY, 130 (110911). [PMID:38065287] [10.1016/j.pnpbp.2023.110911] |
| 1. Jiao-Zhao Yan, Guang-Xiang Li, Si-Rui Sun, Lin-Yu Cui, Yong-Yu Yin, Yun-Feng Li. (2024) A rate-limiting step in antidepressants onset: Excitation of glutamatergic pyramidal neurons in medial prefrontal cortex of rodents. PROGRESS IN NEURO-PSYCHOPHARMACOLOGY & BIOLOGICAL PSYCHIATRY, 130 (110911). [PMID:38065287] [10.1016/j.pnpbp.2023.110911] |
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