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Merck
CN

SML2215

Aprepitant

≥98% (HPLC), NK1 receptor antagonist, powder

别名:

Aprepitant, 3H-1,2,4-Triazol-3-one, 5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro, 5-[[(2R,3S)-2-[(1R)-1-[3,5bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3one, Emend, L-754030, MK 869, MK-0869, ONO 7436, 3-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholino]methyl]-1H-1,2,4-triazol-5(4H)-one, 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

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关于此项目

经验公式（希尔记法）:
C23H21F7N4O3
化学文摘社编号:
170729-80-3
分子量:
534.43
MDL编号:
MFCD12912491
UNSPSC代码:
12352200
NACRES:
NA.77

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产品名称

Aprepitant, ≥98% (HPLC)

方案

≥98% (HPLC)

表单

powder

旋光性

[α]/D +61 to +71°, c = 1.0 in methanol

颜色

white to beige

溶解性

DMSO: 2 mg/mL, clear

储存温度

−20°C

SMILES字符串

FC1=CC=C([C@@H]([C@@H](O[C@H](C)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)OCC3)N3CC4=NNC(N4)=O)C=C1

InChI

1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19-,20+/m1/s1

InChI key

ATALOFNDEOCMKK-BYYRLHKVSA-N

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相关类别

应用

Aprepitant has been used as neurokinin 1 (NK1) receptor antagonist in dorsal root ganglion (DRG) derived cells and bone marrow mesenchymal stem cells (BMSCs) coculture.

生化/生理作用

Aprepitant is an antiemetic drug. It is a moderate cytochrome P450 3A4 (CYP3A4) inhibitor. It is capable of crossing the blood brain barrier in humans. In animals, aprepitant can cross the placental barrier. Aprepitant is a potent and selective antagonist of human substance P/neurokinin 1 (NK1) receptors used clinically to treat chemotherapy-induced or post-operative nausea and vomiting, and being investigated for other activity including possible treatment for depression and pruritis.

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
0000429005
0000429005
0000296347
0000296347
0000084200

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The role of neurokinin-1 (substance P) antagonists in the prevention of postoperative nausea and vomiting
Okafor D, et al.
Journal of Anaesthesiology, Clinical Pharmacology, 33(4), 441-441 (2017)
Dorsal Root Ganglion Maintains Stemness of Bone Marrow Mesenchymal Stem Cells by Enhancing Autophagy through the AMPK/mTOR Pathway in a Coculture System
Zhang S, et al.
Stem Cells International (2018)
Aprepitant and fosaprepitant drug interactions: a systematic review
Patel P, et al.
British Journal of Clinical Pharmacology, 83(10), 2148-2148 (2017)
Deepti Jacob et al.
American journal of physiology. Gastrointestinal and liver physiology, 313(5), G505-G510 (2017-08-18)
Aprepitant, an NK1 receptor antagonist, is approved for the treatment of chemotherapy-induced or postoperative emesis by blocking NK1 receptors in the brain stem vomiting center. The effects of NK1 receptors on gastric functions and postprandial symptoms in humans are unclear;
Alice He et al.
BioMed research international, 2017, 4790810-4790810 (2017-10-24)
Chronic pruritus is a difficult condition to treat and is associated with several comorbidities, including insomnia, depression, and decreased quality of life. Treatment for chronic itch includes corticosteroids, antihistamines, and systemic therapies such as naltrexone, gabapentin, UV light therapy, and
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