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

MedKoo CAT#: 100065

CAS#: 170729-80-3

Description: Aprepitant is a small molecule, high-affinity substance P antagonist (SPA) with antiemetic activity. Crossing the blood brain barrier, aprepitant binds selectively to the human substance P/neurokinin 1 receptor in the central nervous system (CNS), thereby inhibiting receptor binding of endogenous substance P and substance P-induced emesis. This agent has little or no affinity for serotonin type 3 (5-HT3), dopamine, and corticosteroid receptors.

Chemical Structure

CAS# 170729-80-3

Theoretical Analysis

MedKoo Cat#: 100065
Name: Aprepitant
CAS#: 170729-80-3
Chemical Formula: C23H21F7N4O3
Exact Mass: 534.1502
Molecular Weight: 534.43
Elemental Analysis: C, 51.69; H, 3.96; F, 24.88; N, 10.48; O, 8.98

Price and Availability

Size Price Availability Quantity
1.0g USD 150.0 Same Day
2.0g USD 250.0 Same Day
5.0g USD 450.0 Same Day
10.0g USD 750.0 Same Day
20.0g USD 1250.0 Same Day
50.0g USD 2450.0 Same Day
100.0g USD 3650.0 Same Day
200.0g USD 4150.0 Same Day
500.0g USD 6250.0 Same Day
Click to view more sizes and prices
Bulk inquiry

Synonym: MK0869; MK 0869; MK-0869; ONO7436; ONO-7436; ONO 7436; L754030; L-754030; L 754030; Aprepitant; US brand name: Emend

IUPAC/Chemical Name: 5-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one


InChi Code: InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1

SMILES Code: O=C1NNC(CN2[C@@H](C3=CC=C(F)C=C3)[C@@H](O[C@@H](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)OCC2)=N1

Appearance: white solid powder

Purity: >99% (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, not in water

Shelf Life: >2 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

Preparing Stock Solutions

The following data is based on the product molecular weight 534.43 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

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.


Dilution Calculator

Calculate the dilution required to prepare a stock solution.

1: Aapro MS, Schmoll HJ, Jahn F, Carides AD, Webb RT. Review of the efficacy of aprepitant for the prevention of chemotherapy-induced nausea and vomiting in a range of tumor types. Cancer Treat Rev. 2013 Feb;39(1):113-7. doi: 10.1016/j.ctrv.2012.09.002. Epub 2012 Oct 11. Review. PubMed PMID: 23062719.

2: Furukawa N, Kawaguchi R, Kobayashi H. Use of high-dose cisplatin with aprepitant in an outpatient setting. Eur J Cancer Care (Engl). 2012 Jul;21(4):436-41. doi: 10.1111/j.1365-2354.2011.01284.x. Epub 2011 Aug 25. Review. PubMed PMID: 21883567.

3: Hargreaves R, Ferreira JC, Hughes D, Brands J, Hale J, Mattson B, Mills S. Development of aprepitant, the first neurokinin-1 receptor antagonist for the prevention of chemotherapy-induced nausea and vomiting. Ann N Y Acad Sci. 2011 Mar;1222:40-8. doi: 10.1111/j.1749-6632.2011.05961.x. Review. PubMed PMID: 21434941.

4: Ruhlmann CH, Herrstedt J. Safety evaluation of aprepitant for the prevention of chemotherapy-induced nausea and vomiting. Expert Opin Drug Saf. 2011 May;10(3):449-62. doi: 10.1517/14740338.2011.563235. Epub 2011 Mar 21. Review. PubMed PMID: 21417835.

5: Kast RE. Glioblastoma: synergy of growth promotion between CCL5 and NK-1R can be thwarted by blocking CCL5 with miraviroc, an FDA approved anti-HIV drug and blocking NK-1R with aprepitant, an FDA approved anti-nausea drug. J Clin Pharm Ther. 2010 Dec;35(6):657-63. doi: 10.1111/j.1365-2710.2009.01148.x. Review. PubMed PMID: 21054456.

6: Aapro MS, Walko CM. Aprepitant: drug-drug interactions in perspective. Ann Oncol. 2010 Dec;21(12):2316-23. doi: 10.1093/annonc/mdq149. Epub 2010 May 20. Review. PubMed PMID: 20488873.

7: Sankhala KK, Pandya DM, Sarantopoulos J, Soefje SA, Giles FJ, Chawla SP. Prevention of chemotherapy induced nausea and vomiting: a focus on aprepitant. Expert Opin Drug Metab Toxicol. 2009 Dec;5(12):1607-14. doi: 10.1517/17425250903451675. Review. PubMed PMID: 19929449.

8: Curran MP, Robinson DM. Aprepitant: a review of its use in the prevention of nausea and vomiting. Drugs. 2009;69(13):1853-78. doi: 10.2165/11203680-000000000-00000. Review. PubMed PMID: 19719336.

9: Sarcev T, Secen N, Zaric B, Milovancev A. Aprepitant--where do we stand in the control of chemotherapy-induced nausea and vomiting? J BUON. 2008 Jul-Sep;13(3):333-9. Review. PubMed PMID: 18979546.

10: Olver I, Shelukar S, Thompson KC. Nanomedicines in the treatment of emesis during chemotherapy: focus on aprepitant. Int J Nanomedicine. 2007;2(1):13-8. Review. PubMed PMID: 17722507; PubMed Central PMCID: PMC2673828.

Additional Information

Aprepitant is a white to off-white crystalline solid, with a molecular weight of 534.43. It is practically insoluble in water. Aprepitant is sparingly soluble in ethanol and isopropyl acetate and slightly soluble in acetonitrile. Each capsule of EMEND for oral administration contains either 40 mg, 80 mg, or 125 mg of aprepitant and the following inactive ingredients: sucrose, microcrystalline cellulose, hydroxypropyl cellulose and sodium lauryl sulfate. The capsule shell excipients are gelatin, titanium dioxide, and may contain sodium lauryl sulfate and silicon dioxide. The 40-mg capsule shell also contains yellow ferric oxide, and the 125-mg capsule also contains red ferric oxide and yellow ferric oxide.
Mechanism of Action Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. Aprepitant has little or no affinity for serotonin (5-HT3), dopamine, and corticosteroid receptors, the targets of existing therapies for chemotherapy-induced nausea and vomiting (CINV) and postoperative nausea and vomiting (PONV). Aprepitant has been shown in animal models to inhibit emesis induced by cytotoxic chemotherapeutic agents, such as cisplatin, via central actions. Animal and human Positron Emission Tomography (PET) studies with aprepitant have shown that it crosses the blood brain barrier and occupies brain NK 1 receptors. Animal and human studies show that aprepitant augments the antiemetic activity of the 5-HT3 receptor antagonist ondansetron and the corticosteroid dexamethasone and inhibits both the acute and delayed phases of cisplatin-induced emesis.