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Screening compounds

Pavinetant

Also known as pavinetantum, 3-(methanesulfonamido)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide, 4-Quinolinecarboxamide, 3-((methylsulfonyl)amino)-2-phenyl-N-((1S)-1-phenylpropyl)-

CAS 941690-55-7Formula C26H25N3O3SMolar mass 459.57 g/mol
1 supplier listed
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Pavinetant chemical structure, C26H25N3O3S, CAS 941690-55-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
941690-55-7
Formula
C26H25N3O3S
Molar mass
459.57 g/mol
HS code
293590
Category
Screening compounds

What is Pavinetant?

Plain description, key identifiers and synonyms

Pavinetant is a member of the class of quinolines that is the amide obtained by formal condensation of the carboxy group of 3-[(methanesulfonyl)amino]-2-phenylquinoline-4-carboxylic acid with the amino group of (1S)-1-phenylpropan-1-amine. A neurokinin-3 receptor antagonist that has been trialled as a potential drug for treatment of schizophrenia and menopausal symptoms. It has a role as a neurokinin-3 receptor antagonist and an antipsychotic agent. It is a secondary carboxamide, a member of quinolines, a sulfonamide and an aromatic amide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(methanesulfonamido)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CAS number
941690-55-7 CAS number cross-checked
Molecular formula
C26H25N3O3S
UNII
3U471ZVC5K
MDL number
MFCD18782739
InChIKey
QYTBBBAHNIWFOD-NRFANRHFSA-N
InChI
InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1
Canonical SMILES
CCC(NC(=O)c1c(NS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1
Isomeric SMILES
CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)NS(=O)(=O)C

Synonyms

  • pavinetantum
  • 3-(methanesulfonamido)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
  • 4-Quinolinecarboxamide, 3-((methylsulfonyl)amino)-2-phenyl-N-((1S)-1-phenylpropyl)-
  • AZD 2624
  • Azd 4901
  • 3-methanesulfonamido-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
  • 3-[(methanesulfonyl)amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
  • 3-((methanesulfonyl)amino)-2-phenyl-N-((1S)-1-phenylpropyl)quinoline-4-carboxamide
  • 3-(Methanesulfonamido)-2-phenyl-N-((1S)-1-phenylpropyl)quinoline-4-carboxamide
  • 3-methanesulfonamido-2-phenyl-N-((1S)-1-phenylpropyl)quinoline-4-carboxamide
  • Pavinetant (USAN/INN)
  • (S)-3-(methylsulfonamido)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
  • 3-[(Methylsulfonyl)amino]-2-phenyl-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide
  • MLE-4901, AZD2624, AZD4901
  • 3-((methylsulfonyl)amino)-2-phenyl-n-(1-phenylpropyl)quinolin-4-carboxamide
  • 3-[(methylsulfonyl)amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinolin-4-carboxamide
  • 3-[(Methylsulfonyl)amino]-2-phenyl-N-[(1S)-1-phenylproyl]quinolin-4-carboxamide

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
459.57 g/molcalc.
Exact mass
459.1617 Dacalc.
LogP (octanol/water)
5.15calc.
Topological polar surface area
88.16 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
7calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.15calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (1 violation)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(NCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12

O=C(NCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12

4 rings, 26 atoms, the N-Benzyl-2-phenylquinoline-4-carboxamide ring system.

100 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Pavinetant suppliers

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Where suppliers are based

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Pavinetant 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
  • antipsychotic agent
  • central nervous system depressant
  • central nervous system drug
  • neurokinin-3 receptor antagonist
  • pharmaceutical
  • psychotropic drug
  • tranquilizing drug

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 Pavinetant is traded under.

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024
$5.64B
−11.0% vs 2023, imports $8.56B
2019 to 2024
Top exporters
  1. Ireland43.1%
  2. China12.0%
  3. India * partner reported9.5%
Top importers
  1. United States23.6%
  2. Slovenia19.1%
  3. Spain11.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Pavinetant?

Pavinetant is a member of the class of quinolines that is the amide obtained by formal condensation of the carboxy group of 3-[(methanesulfonyl)amino]-2-phenylquinoline-4-carboxylic acid with the amino group of (1S)-1-phenylpropan-1-amine.

What is the CAS number of Pavinetant?

The CAS registry number of Pavinetant is 941690-55-7.

What is the molecular formula and weight of Pavinetant?

The molecular formula of Pavinetant is C26H25N3O3S and its molar mass is 459.57 g/mol.

What is Pavinetant used for?

Known uses and roles of Pavinetant include building blocks in research and laboratory, screening compounds in research and laboratory, antagonist, antipsychotic agent, central nervous system depressant and 5 more.

Is Pavinetant hazardous?

No GHS hazard classification for Pavinetant is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Pavinetant?

Pavinetant is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pavinetant?

CompoundList lists 1 supplier of Pavinetant in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Pavinetant?

Suppliers quote Pavinetant 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 Pavinetant

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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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