5-[2(R)-[1(R)-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3(S)-(4-fluorophenyl)morpholin-4-ylmethyl]-3,4-dihydro-2H-1,2,4-triazol-3-one 5-[2(R)-[1(R)-[3,5-二(三氟甲基)苯基]乙氧基]-3(S)-(4-氟苯基)吗啉-4-基甲基]-3,4-二氢-2H-1,2,4-三唑-3-酮
CAS 170729-80-3 MFCD08277635
化学结构图
SMILES: C[C@@H](O[C@H]1OCCN(CC2NNC(=O)N=2)[C@H]1C1=CC=C(F)C=C1)C1C=C(C=C(C=1)C(F)(F)F)C(F)(F)F
化学属性
| Mol. Formula | C23H21F7N4O3 |
|---|---|
| Mol. Weight | 534 |
| Melting Point | 250.0 to 255.0 deg-C |
别名和识别编码
| Chemical Name | 5-[2(R)-[1(R)-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3(S)-(4-fluorophenyl)morpholin-4-ylmethyl]-3,4-dihydro-2H-1,2,4-triazol-3-one |
|---|---|
| CAS Number | 170729-80-3 |
| Synonym | 5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one Emend L 754030 MK 0869 MK 869 ONO 7436 |
| Chemical Name Translation | 5-[2(R)-[1(R)-[3,5-二(三氟甲基)苯基]乙氧基]-3(S)-(4-氟苯基)吗啉-4-基甲基]-3,4-二氢-2H-1,2,4-三唑-3-酮 |
| MDL Number | MFCD08277635 |
| Reaxys-RN | 8096869 |
| Merck Number | 753 |
| PubChem Substance ID | 354334991 |
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分类
- Chiral Reagents
- Heterocycles
- Pharmaceuticals
- Intermediates & Fine Chemicals,
产品应用
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相关文献及参考
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- [3]. Mannangatti P, et al. Differential effects of aprepitant, a clinically used neurokinin-1 receptor antagonist on the expression of conditioned psychostimulant versus opioid reward. Psychopharmacology (Berl). 2017 Feb;234(4):695-705.
- [4]. Barrett JS, et al. Pharmacologic rationale for the NK1R antagonist, aprepitant as adjunctive therapy in HIV. J Transl Med. 2016 May 26;14(1):148.
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- Hale, J.J., et al.: J. Med. Chem., 41, 4607 (1998),
- Van Belle, S., et al.: Cancer, 94, 3032 (2002),
- [1]. Martinez AN, et al. Aprepitant limits in vivo neuroinflammatory responses in a rhesus model of Lyme neuroborreliosis. J Neuroinflammation. 2017 Feb 15;14(1):37.
安全信息
- H319 Causes serious eye irritation 严重刺激眼睛
GHS Symbol
- P201 Obtain special instructions before use. 使用前获取专门指示。
- P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P305+P351+P338+P337+P313
- P308+P313
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
