WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H414345
CAS#: 290296-54-7 (2HCl)
Description: Netupitant 2HCl is an antiemetic drug
Hodoodo Cat#: H414345
Name: Netupitant 2HCl
CAS#: 290296-54-7 (2HCl)
Chemical Formula: C30H34Cl2F6N4O
Exact Mass: 650.20
Molecular Weight: 651.520
Elemental Analysis: C, 55.31; H, 5.26; Cl, 10.88; F, 17.50; N, 8.60; O, 2.46
This product is not in stock, which may be available by custom synthesis.
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Related CAS #: 290296-54-7 (2HCl) 290297-26-6 (free base)
Synonym: Netupitant dihydrochloride; Netupitant 2HCl
IUPAC/Chemical Name: Benzeneacetamide, N,alpha,alpha-trimethyl-N-(4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl)-3,5-bis(trifluoromethyl)-, dihydrochloride
InChi Key: GJGWXFKSUTYHCU-UHFFFAOYSA-N
InChi Code: InChI=1S/C30H32F6N4O.2ClH/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36;;/h6-9,14-18H,10-13H2,1-5H3;2*1H
SMILES Code: O=C(N(C)C1=C(C2=CC=CC=C2C)C=C(N3CCN(C)CC3)N=C1)C(C)(C)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4.[H]Cl.[H]Cl
Appearance: Solid powder
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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 651.52 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.
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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
1: Lorusso V, Karthaus M, Aapro M. Review of oral fixed-dose combination netupitant and palonosetron (NEPA) for the treatment of chemotherapy-induced nausea and vomiting. Future Oncol. 2014 Oct 31:1-13. [Epub ahead of print] PubMed PMID: 25360998.
2: Spinelli T, Moresino C, Baumann S, Timmer W, Schultz A. Effects of combined netupitant and palonosetron (NEPA), a cancer supportive care antiemetic, on the ECG of healthy subjects: an ICH E14 thorough QT trial. Springerplus. 2014 Jul 29;3:389. doi: 10.1186/2193-1801-3-389. eCollection 2014. PubMed PMID: 25105088; PubMed Central PMCID: PMC4124105.
3: Thomas AG, Stathis M, Rojas C, Slusher BS. Netupitant and palonosetron trigger NK1 receptor internalization in NG108-15 cells. Exp Brain Res. 2014 Aug;232(8):2637-44. doi: 10.1007/s00221-014-4017-7. Epub 2014 Jun 27. PubMed PMID: 24969614; PubMed Central PMCID: PMC4112047.
4: Andrews PL. Netupitant and palonosetron (NEPA): a winning team in the race for the optimal treatment of chemotherapy-induced nausea and vomiting? Ann Oncol. 2014 Jul;25(7):1258-9. doi: 10.1093/annonc/mdu190. Epub 2014 Jun 18. PubMed PMID: 24942276.
5: Gralla RJ, Bosnjak SM, Hontsa A, Balser C, Rizzi G, Rossi G, Borroni ME, Jordan K. A phase III study evaluating the safety and efficacy of NEPA, a fixed-dose combination of netupitant and palonosetron, for prevention of chemotherapy-induced nausea and vomiting over repeated cycles of chemotherapy. Ann Oncol. 2014 Jul;25(7):1333-9. doi: 10.1093/annonc/mdu096. Epub 2014 Mar 14. PubMed PMID: 24631949; PubMed Central PMCID: PMC4071753.
6: Hesketh PJ, Rossi G, Rizzi G, Palmas M, Alyasova A, Bondarenko I, Lisyanskaya A, Gralla RJ. Efficacy and safety of NEPA, an oral combination of netupitant and palonosetron, for prevention of chemotherapy-induced nausea and vomiting following highly emetogenic chemotherapy: a randomized dose-ranging pivotal study. Ann Oncol. 2014 Jul;25(7):1340-6. doi: 10.1093/annonc/mdu110. Epub 2014 Mar 7. PubMed PMID: 24608196; PubMed Central PMCID: PMC4071755.
7: Aapro M, Rugo H, Rossi G, Rizzi G, Borroni ME, Bondarenko I, Sarosiek T, Oprean C, Cardona-Huerta S, Lorusso V, Karthaus M, Schwartzberg L, Grunberg S. A randomized phase III study evaluating the efficacy and safety of NEPA, a fixed-dose combination of netupitant and palonosetron, for prevention of chemotherapy-induced nausea and vomiting following moderately emetogenic chemotherapy. Ann Oncol. 2014 Jul;25(7):1328-33. doi: 10.1093/annonc/mdu101. Epub 2014 Mar 5. PubMed PMID: 24603643; PubMed Central PMCID: PMC4071754.
8: Szitter I, Pintér E, Perkecz A, Kemény A, Kun J, Kereskai L, Pietra C, Quinn JP, Zimmer A, Berger A, Paige CJ, Helyes Z. Role of neurokinin 1 receptors in dextran sulfate-induced colitis: studies with gene-deleted mice and the selective receptor antagonist netupitant. Inflamm Res. 2014 May;63(5):399-409. doi: 10.1007/s00011-014-0712-x. Epub 2014 Jan 28. PubMed PMID: 24468892.
9: Spinelli T, Calcagnile S, Giuliano C, Rossi G, Lanzarotti C, Mair S, Stevens L, Nisbet I. Netupitant PET imaging and ADME studies in humans. J Clin Pharmacol. 2014 Jan;54(1):97-108. doi: 10.1002/jcph.198. Epub 2013 Nov 8. PubMed PMID: 24122871.
10: Haab F, Braticevici B, Krivoborodov G, Palmas M, Zufferli Russo M, Pietra C. Efficacy and safety of repeated dosing of netupitant, a neurokinin-1 receptor antagonist, in treating overactive bladder. Neurourol Urodyn. 2014 Mar;33(3):335-40. doi: 10.1002/nau.22406. Epub 2013 Jun 14. PubMed PMID: 23765630.