MedKoo Cat#: 127685 | Name: Rolapitant hydrochloride hydrate
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Rolapitant, also known as SCH-619734, is an orally bioavailable, centrally-acting, selective, neurokinin 1 receptor (NK1-receptor) antagonist with potential antiemetic activity.

Chemical Structure

Rolapitant hydrochloride hydrate
Rolapitant hydrochloride hydrate
CAS#914462-92-3 (HCl hydrate)

Theoretical Analysis

MedKoo Cat#: 127685

Name: Rolapitant hydrochloride hydrate

CAS#: 914462-92-3 (HCl hydrate)

Chemical Formula: C25H29ClF6N2O3

Exact Mass: 554.1771

Molecular Weight: 554.96

Elemental Analysis: C, 54.11; H, 5.27; Cl, 6.39; F, 20.54; N, 5.05; O, 8.65

Price and Availability

Size Price Availability Quantity
5mg USD 450.00 2 Weeks
25mg USD 950.00 2 Weeks
100mg USD 1,650.00 2 Weeks
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Synonym
SCH619734 SCH-619734; SCH 619734; Rolapitant HCl; Rolapitant hydrochloride hydrate
IUPAC/Chemical Name
(5S,8S)-8-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one hydrochloride hydrate
InChi Key
GZQWMYVDLCUBQX-WVZIYJGPSA-N
InChi Code
InChI=1S/C25H26F6N2O2.ClH.H2O/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22;;/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34);1H;1H2/t16-,22-,23-;;/m1../s1
SMILES Code
O=C1N[C@@]2(CC[C@](C3=CC=CC=C3)(CO[C@@H](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)NC2)CC1.[H]O[H].[H]Cl
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 554.96 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: LiverTox: Clinical and Research Information on Drug-Induced Liver Injury [Internet]. Bethesda (MD): National Institute of Diabetes and Digestive and Kidney Diseases; 2012-. Available from http://www.ncbi.nlm.nih.gov/books/NBK548209/ PubMed PMID: 31643534. 2: Heo YA, Deeks ED. Rolapitant: A Review in Chemotherapy-Induced Nausea and Vomiting. Drugs. 2017 Oct;77(15):1687-1694. doi: 10.1007/s40265-017-0816-z. Review. PubMed PMID: 28929404. 3: Rapoport BL, Aapro M, Chasen MR, Jordan K, Navari RM, Schnadig I, Schwartzberg L. Recent developments in the clinical pharmacology of rolapitant: subanalyses in specific populations. Drug Des Devel Ther. 2017 Sep 5;11:2621-2629. doi: 10.2147/DDDT.S133943. eCollection 2017. Review. PubMed PMID: 28919712; PubMed Central PMCID: PMC5592904. 4: Rapoport BL. Rolapitant: An NK-1 Receptor Antagonist for the Prevention of Chemotherapy- Induced Nausea and Vomiting. Rev Recent Clin Trials. 2017;12(3):193-201. doi: 10.2174/1574887112666170406104854. Review. PubMed PMID: 28393710. 5: Rashad N, Abdel-Rahman O. Differential clinical pharmacology of rolapitant in delayed chemotherapy-induced nausea and vomiting (CINV). Drug Des Devel Ther. 2017 Mar 24;11:947-954. doi: 10.2147/DDDT.S108872. eCollection 2017. Review. PubMed PMID: 28392676; PubMed Central PMCID: PMC5373840. 6: Rapoport BL. Differential pharmacology and clinical utility of rolapitant in chemotherapy-induced nausea and vomiting. Cancer Manag Res. 2017 Feb 22;9:41-50. doi: 10.2147/CMAR.S97543. eCollection 2017. Review. PubMed PMID: 28260945; PubMed Central PMCID: PMC5327850. 7: Rapoport B, van Eeden R, Smit T. Rolapitant for the prevention of delayed nausea and vomiting over initial and repeat courses of emetogenic chemotherapy. Expert Rev Clin Pharmacol. 2017 Jan;10(1):17-29. doi: 10.1080/17512433.2017.1266251. Epub 2016 Dec 15. Review. PubMed PMID: 27894202. 8: Navari R. Rolapitant hydrochloride: prophylactic treatment for chemotherapy-induced nausea and vomiting. Drugs Today (Barc). 2016 Aug;52(8):431-438. Review. PubMed PMID: 27722211. 9: Chasen MR, Rapoport BL. Rolapitant for the treatment of chemotherapy-induced nausea and vomiting: a review of the clinical evidence. Future Oncol. 2016 Mar;12(6):763-78. doi: 10.2217/fon.16.11. Epub 2016 Feb 4. Review. PubMed PMID: 26842387. 10: Rolapitant (Varubi) for prevention and delayed chemotherapy-induced nausea and vomiting. Med Lett Drugs Ther. 2016 Feb 1;58(1487):17-8. Review. PubMed PMID: 26812124. 11: Abdel-Rahman O, Fouad M. Rolapitant: a pooled analysis of its efficacy and safety in the prophylaxis of chemotherapy-induced nausea and vomiting. Future Oncol. 2016 Mar;12(6):871-9. doi: 10.2217/fon.15.360. Epub 2016 Jan 25. Review. PubMed PMID: 26806790. 12: Syed YY. Rolapitant: first global approval. Drugs. 2015 Nov;75(16):1941-5. doi: 10.1007/s40265-015-0485-8. Review. PubMed PMID: 26467681. 13: Rojas C, Slusher BS. Mechanisms and latest clinical studies of new NK1 receptor antagonists for chemotherapy-induced nausea and vomiting: Rolapitant and NEPA (netupitant/palonosetron). Cancer Treat Rev. 2015 Dec;41(10):904-13. doi: 10.1016/j.ctrv.2015.09.005. Epub 2015 Sep 26. Review. PubMed PMID: 26442475.