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Netupitant Neurokinin Receptor antagonist

Name: Netupitant
Brand: Selleck Chemicals
SKU: S4654
Rating: 5 (1 reviews)

Cat.No.S4654

Netupitant (CID6451149) is a selective neurokinin 1 (NK1) receptor antagonist with potential antiemetic activity.

Chemical Structure

Molecular Weight: 578.59

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Quality Control

Batch: Purity: 99.97%

99.97

Related Targets	Adrenergic Receptor AChR 5-HT Receptor COX Calcium Channel Histamine Receptor Dopamine Receptor GABA Receptor TRP Channel Cholinesterase (ChE)
Other Neurokinin Receptor Inhibitors	L-732138 Fezolinetant Maropitant citrate Asparagus Extract Tradipitant Substance P

Chemical Information, Storage & Stability

Molecular Weight	578.59	Formula	C₃₀H₃₂F₆N₄O	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	290297-26-6	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	CID6451149, CID 6451149, CID-6451149			Smiles	CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C

Solubility

In vitro
Batch:

Ethanol : 100 mg/mL

DMSO : 2 mg/mL (3.45 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Water : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
=	×	×

Dilution Calculator Molecular Weight Calculator

In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg Average weight of animals: g Dosing volume per animal:μL Number of animals:

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO + % + % Tween 80 + % ddH₂O

%DMSO+ %

Calculation results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such as vortex, ultrasound or hot water bath can be used to aid dissolving.

Mechanism of Action

Targets/IC₅₀/Ki	Neurokinin-1 receptor
In vitro	In CHO NK1 cells, Netupitant concentration-dependently antagonises the stimulatory effects of substance P (SP) showing insurmountable antagonism (pKB 8.87). In cells expressing NK2 or NK3 receptors, this compound is inactive.
In vivo	Netupitant behaves as a brain penetrant, orally active, potent and selective NK1 antagonist. In mice the intrathecal injection of SP elicited the typical scratching, biting and licking response that is dose-dependently inhibited by this compound given intraperitoneally in the 1-10 mg/kg dose range. In gerbils, foot tapping behaviour evoked by the intracerebroventricular injection of a NK1 agonist is dose-dependently counteracted by this chemical given intraperitoneally (ID50 1.5 mg/kg) or orally (ID50 0.5 mg/kg). In time course experiments in gerbils it displayed long lasting effects.
References	[1] https://pubmed.ncbi.nlm.nih.gov/22732666/ [2] https://pubmed.ncbi.nlm.nih.gov/22683863/

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT04486157	Completed	Healthy	HK inno.N Corporation	March 18 2021	Phase 1
NCT03204279	Completed	Chemotherapy-induced Nausea and Vomiting (CINV)	Helsinn Healthcare SA	August 31 2017	Phase 2

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