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Screening compounds

Netupitant

Also known as 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide, Ro 67-3189/000, Ro-67-3189

CAS 290297-26-6Formula C30H32F6N4OMolar mass 578.60 g/molEC 978-555-1
GHS signal word: Warning. Pictograms: Harmful or irritant, Serious health hazard 28 suppliers listed
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Netupitant chemical structure, C30H32F6N4O, CAS 290297-26-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
290297-26-6
Formula
C30H32F6N4O
Molar mass
578.60 g/mol
EC number
978-555-1
HS code
293359
Category
Screening compounds

What is Netupitant?

Plain description, key identifiers and synonyms

Netupitant is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoic acid with the secondary amino group of N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine, an antiemetic used in combination with palonosetron hydrochloride (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy. It has a role as an antiemetic and a neurokinin-1 receptor antagonist. It is a member of toluenes, a monocarboxylic acid amide, an organofluorine compound, an aminopyridine, a N-alkylpiperazine and a N-arylpiperazine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CAS number
290297-26-6 CAS number cross-checked
EC number
978-555-1
Molecular formula
C30H32F6N4O
UNII
7732P08TIR
MDL number
MFCD25976831
InChIKey
WAXQNWCZJDTGBU-UHFFFAOYSA-N
InChI
InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3
SMILES (canonical and isomeric)
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

Synonyms

  • 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide
  • Ro 67-3189/000
  • Ro-67-3189
  • Akynzeo capsule component netupitant
  • Netupitant component akynzeo capsule
  • 2-(3,5-Bis(trifluoromethyl)phenyl)-N-methyl-N-(4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl)-2-methylpropanamide
  • netupitantum
  • 2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl)propanamide
  • RO 673189000
  • RO 67-3189 000
  • RO-67-3189 000
  • benzeneacetamide, N, alpha, alpha-trimethyl-N-(4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl)-3,5-bis(trifluoromethyl)-
  • benzeneacetamide, N, alpha,alpha-trimethyl-N-(4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl)-3,5-bis(trifluoromethyl)-, hydrochloride (1:2)
  • 2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-(4-methylpiperazin-1-yl)-4-(o-tolyl)pyridin-3-yl)propanamide
  • Benzeneacetamide, N,alpha,alpha-trimethyl-N-[4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)-
  • 2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-(4-methylpiperazin-1-yl)-4-o-tolylpyridin-3-yl)propanamide
  • 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide
  • 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
  • Benzeneacetamide, N,alpha,alpha-trimethyl-N-(4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl)-3,5-bis(trifluoromethyl)-
  • Netupitant (Standard)
  • Netupitant (USAN/INN)
  • 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-4-(o-tolyl)-3-pyridyl]propanamide
  • Ro 67-31898
  • Ro 67-31898/000
  • Benzeneacetamide, n,alpha,alpha-trimeth
Show all 27 synonyms
  • 2-(3,5-Bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-(4-methylpiperazin-1-yl)-4-O-tolylpyridin-3-yl)propanamide, AldrichCPR
  • 2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-(4-methylpiperazin-1yl)-4-(o-tolyl)pyridin-3yl)propanamide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
578.60 g/molcalc.
Exact mass
578.248 Dacalc.
LogP (octanol/water)
6.79calc.
Topological polar surface area
39.68 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
41calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(Cc1ccccc1)Nc1cnc(N2CCNCC2)cc1-c1ccccc1

O=C(Cc1ccccc1)Nc1cnc(N2CCNCC2)cc1-c1ccccc1

4 rings, 28 atoms.

16 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H361Suspected of damaging fertility or the unborn child.
Precautionary statements (16)
  • P203Obtain, read and follow all safety instructions before use.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P318If exposed or concerned, get medical advice.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Netupitant suppliers

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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

28 suppliers in 6 countries

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Netupitant price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antagonist
  • antiemetic
  • antineoplastic agent
  • neurokinin-1 receptor antagonist
  • pharmaceutical

Pharmacology

Netupitant is a Substance P/Neurokinin-1 Receptor Antagonist. The mechanism of action of netupitant is as a Neurokinin 1 Antagonist, and Cytochrome P450 3A4 Inhibitor, and P-Glycoprotein Inhibitor, and Breast Cancer Resistance Protein Inhibitor.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Netupitant is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Netupitant is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Netupitant, based on the data on this page

What is Netupitant?

Netupitant is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoic acid with the secondary amino group of N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine, an antiemetic used in combination with palonosetron hydroc…

What is the CAS number of Netupitant?

The CAS registry number of Netupitant is 290297-26-6.

What is the molecular formula and weight of Netupitant?

The molecular formula of Netupitant is C30H32F6N4O and its molar mass is 578.60 g/mol.

What is Netupitant used for?

Known uses and roles of Netupitant include building blocks in research and laboratory, screening compounds in research and laboratory, antagonist, antiemetic, antineoplastic agent and 2 more.

Is Netupitant hazardous?

Netupitant carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Netupitant?

Netupitant is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Netupitant?

CompoundList lists 28 suppliers of Netupitant in China, United States, India, Canada and 2 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Netupitant in India?

3 suppliers in India list Netupitant on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Netupitant?

Suppliers quote Netupitant on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Netupitant

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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