914462-92-3
914462-92-3 structure
- Name: Rolapitant Hydrochloride Monohydrate
- Chemical Name: (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one,hydrate,hydrochloride
- CAS Number: 914462-92-3
- Molecular Formula: C25H29ClF6N2O3
- Molecular Weight: 554.953
- Catalog: Signaling Pathways GPCR/G Protein Neurokinin Receptor
- Create Date: 2018-03-11 08:00:00
- Modify Date: 2024-01-06 16:43:22
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Rolapitant hydrochloride hydrate (SCH619734 hydrochloride hydrate) is a potent, selective, long-acting and orally active neurokinin 1 (NK1) receptor antagonist with a Ki of 0.66 nM. Rolapitant hydrochloride hydrate does not interact with CYP3A4. Rolapitant hydrochloride hydrate shows potent anti-emetic activity in a ferret emesis model[1][2].
| Name | (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one,hydrate,hydrochloride |
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| Synonyms |
rolapitant hydrochloride hydrate
Rolapitant hydrochloride UNII:57O5S1QSAQ (5S,8S)-8-({(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one hydrochloride hydrate Varubi 1,7-Diazaspiro[4.5]decan-2-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-, (5S,8S)-, hydrochloride, hydrate (1:1:1) UNII-57O5S1QSAQ Rolapitant HCl Rolapitant Hydrochloride Monohydrate |
| Description | Rolapitant hydrochloride hydrate (SCH619734 hydrochloride hydrate) is a potent, selective, long-acting and orally active neurokinin 1 (NK1) receptor antagonist with a Ki of 0.66 nM. Rolapitant hydrochloride hydrate does not interact with CYP3A4. Rolapitant hydrochloride hydrate shows potent anti-emetic activity in a ferret emesis model[1][2]. |
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| Related Catalog | |
| Target |
human NK1:0.66 nM (Ki) gerbil NK1:0.13 nM (Ki) guinea pig NK1:0.72 nM (Ki) monkey NK1:2.5 nM (Ki) rabbit NK1:31.7 nM (Ki) rat NK1:78.6 nM (Ki) mouse NK1:60.4 nM (Ki) |
| In Vitro | Rolapitant hydrochloride hydrate 对人类 NK2 和 NK3 亚型的选择性超过 1000 倍，并且对人类、豚鼠、沙鼠和猴子 NK1 受体的亲和力优于大鼠、小鼠和兔[1]. Rolapitant hydrochloride hydrate (1-1000 nM) 在表达人 NK1 受体的 CHO 细胞中以浓度依赖性和竞争性方式抑制 GR-73632 (一种 NK1 受体激动剂) 诱导的钙流出[1]。 |
| In Vivo | Rolapitant hydrochloride hydrate (0.03-1 mg/kg for PO, 0.3-1 mg/kg for IV; single dosage) 减弱蒙古沙鼠中 GR-73632 (HY-P1192) 诱导的足部敲击反应[1]。 Rolapitant hydrochloride hydrate (0.03-1 mg/kg; PO; single dosage; observed for 72 h) 阻断雪貂中由阿扑吗啡和 cisplatin (HY-17394) 引起的急性呕吐[1]。 Animal Model: Female Mongolian Gerbils (30-60 g; anesthetized by inhalation of an oxygen:isofluorane mixture after 4 h PO or immediately after IV, then injected with 5 μl of 3 pmol solution of GR-73632 via ICV)[1] Dosage: 0.03, 0.1, 0.3 and 1 mg/kg for PO, 0.3 and 1 mg/kg for IV Administration: PO or IV, single dosage Result: Attenuated dose-dependently the GR-73632-induced foot-tapping response when administered PO 4 h before testing, with an ID90 of 0.3 mg/kg, and the inhibition in foot tapping for at least 24 h. Blocked dose-dependently the foot tapping induced by GR-73632 when administered IV, with complete blockade observed at 1 mg/kg. Animal Model: Ferrets (treated with subcutaneous administration of 0.125 mg/kg apomorphine or intraperitoneal administration of 10 mg/kg cisplatin)[1] Dosage: 0.03, 0.1, 0.3 and 1 mg/kg Administration: PO; single dosage; observed for 72 h Result: Blocked dose-dependently acute emesis induced by both apomorphine and cisplatin in ferrets. Produced a robust decrease in retches and vomits in ferrets that was maintained throughout the 72 h observation period. |
| References |
| Molecular Formula | C25H29ClF6N2O3 |
|---|---|
| Molecular Weight | 554.953 |
| Exact Mass | 554.177063 |
| PSA | 63.08000 |
| LogP | 7.07190 |