Aprepitant

Name: Aprepitant
Brand: Tocris Bioscience
SKU: 6486
Rating: 5 (1 reviews)

Tocris Bioscience, part of Bio-Techne | Catalog # 6486

(1)

Citations (8)

COA / SDS

Potent long-acting hNK1 antagonist

Key Product Details

Description:	Potent long-acting hNK₁ antagonist
Chemical Name:	5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Purity:	≥99% (HPLC)
Molecular Weight:	534.43

View Full Technical Details for Aprepitant

Technical Data
Citations / Reviews (1)

Biological Activity for Aprepitant

Aprepitant is a potent long-acting hNK-1 antagonist (IC₅₀ = 0.09 nM and K_d = 19 pM) that inhibits the effect of substance P on NK-1 receptors. Inhibits metastasis and impairs tumor growth in patient derived xenografts and breast cancer cells. In an animal model of intracerebral hemorrhage, Aprepitant reduces neurological impairment, neuronal damage and neuronal death. Suppresses pain and inflammation induced by formalin. Inhibits induced foot-tapping in gerbils. CNS penetrant and orally bioavailable. Antiemetic.

Compound Libraries for Aprepitant

Aprepitant is also offered as part of the Tocriscreen 2.0 Max and Tocriscreen FDA-Approved Drugs. Find out more about compound libraries available from Tocris.

Technical Data for Aprepitant

M. Wt	534.43
Formula	C₂₃H₂₁F₇N₄O₃
Storage	Store at -20°C
Purity	≥99% (HPLC)
CAS Number	170729-80-3
PubChem ID	6918365
InChi Key	ATALOFNDEOCMKK-OITMNORJSA-N
Smiles	C[C@H](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)O[C@H]2OCCN([C@H]2C3=CC=C(C=C3)F)CC4=NNC(N4)=O

The technical data provided above is for guidance only. For batch specific data refer to the Certificate of Analysis.

Tocris products are intended for laboratory research use only, unless stated otherwise.

Solubility for Aprepitant

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	53.44	100
	ethanol	5.34	10

Preparing Stock Solutions for Aprepitant

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.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.87 mL	9.36 mL	18.71 mL
5 mM	0.37 mL	1.87 mL	3.74 mL
10 mM	0.19 mL	0.94 mL	1.87 mL
50 mM	0.04 mL	0.19 mL	0.37 mL

Molarity Calculator

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

Mass

Concentration

Volume

M. Wt*

g/mol

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

Dilution Calculator

Calculate the dilution required to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

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.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

References for Aprepitant

References are publications that support the biological activity of the product.

Yang Aprepitant inhibits JNK and p38/MAPK to attenuate inflammation and suppresses inflammatory pain. Front.Pharmacol. 2022 PMID: 35087409
Jin Aprepitant attenuates NLRC4-dependent neuronal pyroptosis via NK1R/PKCd pathway in a mouse model of intracerebral hemorrhage. J.Neuroinflammation 2022 PMID: 35922848
Padmanaban Neuronal substance P drives metastasis through an extracellular RNA-TLR7 axis. Nature 2024 PMID: 39112700
Hale Structural optimization affording 2-(R)-(1-(R)-3, 5-bis(trifluoromethyl)phenylethoxy)-3-(S)-(4-fluoro)phenyl-4-(3-oxo-1,2,4-triazol-5-yl)methylmorpholine, a potent, orally active, long-acting morpholine acetal human NK-1 recepto J.Med.Chem. 1998 PMID: 9804700