Fosnetupitant chloride | 1643757-72-5 | neurokinin receptor antagonist

MedKoo Cat#: 330229 | Name: Fosnetupitant chloride HCl

Description:

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

Fosnetupitant is a neurokinin receptor antagonist. Neurokinin 1 (NK1) receptor antagonists (RAs) are a class of drug used to treat nausea and vomiting associated with chemotherapy. Aprepitant, casopitant, and fosaprepitant are NK1 drugs.

Chemical Structure

Fosnetupitant chloride HCl

CAS#1643757-72-5 (HCl)

Theoretical Analysis

MedKoo Cat#: 330229

Name: Fosnetupitant chloride HCl

CAS#: 1643757-72-5 (HCl)

Chemical Formula: C31H37Cl2F6N4O5P

Exact Mass:

Molecular Weight: 761.52

Elemental Analysis: C, 48.89; H, 4.90; Cl, 9.31; F, 14.97; N, 7.36; O, 10.50; P, 4.07

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

1643757-72-5 (HCl) 1703748-89-3 (inner salt) 1643757-79-2 (citrate) 1643757-81-6 (mesylate) 1643757-83-8 (calcium) 1643757-84-9 (sodium)

Synonym

Fosnetupitant chloride, 08PNET; 07-PNET; 07 PNET; 07PNET;

IUPAC/Chemical Name

4-[5-{2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamido}-4-(2-methylphenyl)pyridin-2-yl]-1-methyl-1-[(phosphonooxy)methyl]piperaziniumchloride monohydrochloride

InChi Key

LBTQUZNIWCWBNN-UHFFFAOYSA-N

InChi Code

InChI=1S/C31H35F6N4O5P.2ClH/c1-20-8-6-7-9-24(20)25-17-27(40-10-12-41(5,13-11-40)19-46-47(43,44)45)38-18-26(25)39(4)28(42)29(2,3)21-14-22(30(32,33)34)16-23(15-21)31(35,36)37;;/h6-9,14-18H,10-13,19H2,1-5H3,(H-,43,44,45);2*1H

SMILES Code

O=P(OC[N+]1(C)CCN(C2=NC=C(N(C)C(C(C)(C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C)=O)C(C4=CC=CC=C4C)=C2)CC1)(O)O.[H]Cl.[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

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 761.52 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

1: Schwartzberg L, Navari R, Clark-Snow R, Arkania E, Radyukova I, Patel K, Voisin D, Rizzi G, Wickham R, Gralla RJ, Aapro M, Roeland E. Phase IIIb Safety and Efficacy of Intravenous NEPA for Prevention of Chemotherapy-Induced Nausea and Vomiting (CINV) in Patients with Breast Cancer Receiving Initial and Repeat Cycles of Anthracycline and Cyclophosphamide (AC) Chemotherapy. Oncologist. 2019 Dec 4. pii: theoncologist.2019-0527. doi: 10.1634/theoncologist.2019-0527. [Epub ahead of print] PubMed PMID: 31801902. 2: Kurteva G, Chilingirova N, Rizzi G, Caccia T, Stella V, Bernareggi A. Pharmacokinetic profile and safety of intravenous NEPA, a fixed combination of fosnetupitant and palonosetron, in cancer patients: Prevention of chemotherapy-induced nausea and vomiting associated with highly emetogenic chemotherapy. Eur J Pharm Sci. 2019 Nov 1;139:105041. doi: 10.1016/j.ejps.2019.105041. Epub 2019 Aug 9. PubMed PMID: 31404621. 3: Sugawara S, Inui N, Kanehara M, Morise M, Yoshimori K, Kumagai T, Fukui T, Minato K, Iwashima A, Takeda Y, Kubota K, Saeki T, Tamura T. Multicenter, placebo-controlled, double-blind, randomized study of fosnetupitant in combination with palonosetron for the prevention of chemotherapy-induced nausea and vomiting in patients receiving highly emetogenic chemotherapy. Cancer. 2019 Nov 15;125(22):4076-4083. doi: 10.1002/cncr.32429. Epub 2019 Aug 5. PubMed PMID: 31381152. 4: Aapro M, Zhang L, Yennu S, LeBlanc TW, Schwartzberg L. Preventing chemotherapy-induced nausea and vomiting with netupitant/palonosetron, the first fixed combination antiemetic: current and future perspective. Future Oncol. 2019 Apr;15(10):1067-1084. doi: 10.2217/fon-2018-0872. Epub 2019 Mar 12. PubMed PMID: 30860400. 5: Najjar A, Karaman R. Successes, failures, and future prospects of prodrugs and their clinical impact. Expert Opin Drug Discov. 2019 Mar;14(3):199-220. doi: 10.1080/17460441.2019.1567487. Epub 2019 Feb 4. PubMed PMID: 30714428. 6: Smith C, Smith M, Cunningham R, Davis S. Recent Advances in Antiemetics: New Formulations of 5-HT3 Receptor Antagonists in Adults. Cancer Nurs. 2019 Jan 25. doi: 10.1097/NCC.0000000000000694. [Epub ahead of print] PubMed PMID: 30688665. 7: IV aprepitant (Cinvanti) for chemotherapy-induced nausea and vomiting. Med Lett Drugs Ther. 2018 Dec 3;60(1561):e200-e201. PubMed PMID: 30653479. 8: Najjar A, Karaman R. The prodrug approach in the era of drug design. Expert Opin Drug Deliv. 2019 Jan;16(1):1-5. doi: 10.1080/17425247.2019.1553954. Epub 2018 Dec 18. PubMed PMID: 30558447. 9: Celio L, Fabbroni C. Pro-netupitant/palonosetron (IV) for the treatment of radio-and-chemotherapy-induced nausea and vomiting. Expert Opin Pharmacother. 2018 Aug;19(11):1267-1277. doi: 10.1080/14656566.2018.1494726. Epub 2018 Jul 9. PubMed PMID: 29985663. 10: Schwartzberg L, Roeland E, Andric Z, Kowalski D, Radic J, Voisin D, Rizzi G, Navari R, Gralla RJ, Karthaus M. Phase III safety study of intravenous NEPA: a novel fixed antiemetic combination of fosnetupitant and palonosetron in patients receiving highly emetogenic chemotherapy. Ann Oncol. 2018 Jul 1;29(7):1535-1540. doi: 10.1093/annonc/mdy169. PubMed PMID: 29722791.