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MedKoo Cat#: 412429 | Name: Casopitant free base

Description:

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

Casopitant free base has anti-emetic and antinausea activities.

Chemical Structure

Casopitant free base
Casopitant free base
CAS#414910-27-3 (free base)

Theoretical Analysis

MedKoo Cat#: 412429

Name: Casopitant free base

CAS#: 414910-27-3 (free base)

Chemical Formula: C30H35F7N4O2

Exact Mass: 616.2648

Molecular Weight: 616.62

Elemental Analysis: C, 58.44; H, 5.72; F, 21.57; N, 9.09; O, 5.19

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 #
414910-30-8 (mesylate) 414910-27-3 (free base)
Synonym
Casopitant free base; GW679769; GW-679769; GW 679769
IUPAC/Chemical Name
1-Piperidinecarboxamide, 4-(4-acetyl-1-piperazinyl)-N-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methyl-, (2R,4S)-
InChi Key
XGGTZCKQRWXCHW-WMTVXVAQSA-N
InChi Code
InChI=1S/C30H35F7N4O2/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/t19-,25+,27-/m1/s1
SMILES Code
O=C(N1[C@@H](C2=CC=C(F)C=C2C)C[C@@H](N3CCN(C(C)=O)CC3)CC1)N([C@@H](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)C
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

Preparing Stock Solutions

The following data is based on the product molecular weight 616.62 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: Khojasteh A, Khojasteh A, Thornburg BG, Maher KR. Casopitant: a new warrior in the antiemetic crusade. Expert Opin Pharmacother. 2009 Jun;10(8):1367-76. doi: 10.1517/14656560902953746. PMID: 19445564. 2: Navari RM. Casopitant, a neurokinin-1 receptor antagonist with anti-emetic and anti-nausea activities. Curr Opin Investig Drugs. 2008 Jul;9(7):774-85. PMID: 18600583. 3: Dandamudi UB, Adams LM, Johnson B, Bauman J, Morris S, Murray S, Webb RT, Gartner E, Hohl R, Lewis LD. Lack of effect of casopitant on the pharmacokinetics of docetaxel in patients with cancer. Cancer Chemother Pharmacol. 2011 Apr;67(4):783-90. doi: 10.1007/s00280-010-1381-2. Epub 2010 Jun 17. PMID: 20556613. 4: Gridelli C, Haiderali AM, Russo MW, Blackburn LM, Lykopoulos K. Casopitant improves the quality of life in patients receiving highly emetogenic chemotherapy. Support Care Cancer. 2010 Nov;18(11):1437-44. doi: 10.1007/s00520-009-0766-4. Epub 2009 Oct 31. PMID: 19882176. 5: Motta P, Pons N, Pagliarusco S, Pellegatti M, Bonomo F. Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. Drug Metab Dispos. 2011 Mar;39(3):363-72. doi: 10.1124/dmd.110.035071. Epub 2010 Dec 13. PMID: 21149541. 6: Altorjay A, Melson T, Chinachoit T, Kett A, Aqua K, Levin J, Blackburn LM, Lane S, Pergolizzi JV Jr. Casopitant and ondansetron for postoperative nausea and vomiting prevention in women at high risk for emesis: a phase 3 study. Arch Surg. 2011 Feb;146(2):201-6. doi: 10.1001/archsurg.2010.327. PMID: 21339433. 7: Johnson B, Adams L, Lu E, Zhang K, Lebowitz P, Lates C, Blum R. Impact of casopitant, a novel NK-1 antagonist, on the pharmacokinetics of ondansetron and dexamethasone. Support Care Cancer. 2009 Sep;17(9):1177-85. doi: 10.1007/s00520-008-0571-5. Epub 2009 Feb 10. PMID: 19205755; PMCID: PMC2726912. 8: Ruhlmann C, Herrstedt J. Casopitant: a novel NK(1)-receptor antagonist in the prevention of chemotherapy-induced nausea and vomiting. Ther Clin Risk Manag. 2009 Apr;5(2):375-84. doi: 10.2147/tcrm.s4026. Epub 2009 May 20. PMID: 19536319; PMCID: PMC2697542. 9: Minthorn E, Mencken T, King AG, Shu A, Rominger D, Gontarek RR, Han C, Bambal R, Davis CB. Pharmacokinetics and brain penetration of casopitant, a potent and selective neurokinin-1 receptor antagonist, in the ferret. Drug Metab Dispos. 2008 Sep;36(9):1846-52. doi: 10.1124/dmd.108.021758. Epub 2008 Jun 12. PMID: 18556439. 10: Hesketh PJ, Wright O, Rosati G, Russo M, Levin J, Lane S, Moiseyenko V, Dube P, Kopp M, Makhson A. Single-dose intravenous casopitant in combination with ondansetron and dexamethasone for the prevention of oxaliplatin-induced nausea and vomiting: a multicenter, randomized, double-blind, active-controlled, two arm, parallel group study. Support Care Cancer. 2012 Jul;20(7):1471-8. doi: 10.1007/s00520-011-1235-4. Epub 2011 Aug 7. PMID: 21822913.

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