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Screening compounds

Palupiprant

Also known as Benzoic acid, 4-((1S)-1-(((3-(difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazol-4-yl)carbonyl)amino)ethyl)-, ER 886046, EP4 Inhibitor E7046

CAS 1369489-71-3Formula C22H18F5N3O4Molar mass 483.39 g/mol
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Palupiprant chemical structure, C22H18F5N3O4, CAS 1369489-71-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1369489-71-3
Formula
C22H18F5N3O4
Molar mass
483.39 g/mol
HS code
293750
Category
Screening compounds

What is Palupiprant?

Plain description, key identifiers and synonyms

Palupiprant is an orally bioavailable antagonist of the prostaglandin E2 (PGE2) receptor type 4 (EP4, EP-4), with potential immunomodulating and antineoplastic activities. Upon oral administration, palupiprant selectively targets, binds to and blocks the activity of immunosuppressive tumor-associated myeloid cells (TAMCs) in the microenvironment. This abolishes TAMC-dependent immunosuppression and reduces tumor cell proliferation. The presence of immunosuppressive myeloid cells in certain tumors is associated with a poor prognosis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(1S)-1-[[3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carbonyl]amino]ethyl]benzoic acid
CAS number
1369489-71-3
Molecular formula
C22H18F5N3O4
UNII
YWY620GU8I
MDL number
MFCD30502665
InChIKey
MKLKAQMPKHNQPR-NSHDSACASA-N
InChI
InChI=1S/C22H18F5N3O4/c1-11(12-6-8-13(9-7-12)21(32)33)28-19(31)16-17(18(23)24)29-30(2)20(16)34-15-5-3-4-14(10-15)22(25,26)27/h3-11,18H,1-2H3,(H,28,31)(H,32,33)/t11-/m0/s1
Canonical SMILES
CC(NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1
Isomeric SMILES
C[C@@H](C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(N(N=C2C(F)F)C)OC3=CC=CC(=C3)C(F)(F)F

Synonyms

  • Benzoic acid, 4-((1S)-1-(((3-(difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazol-4-yl)carbonyl)amino)ethyl)-
  • ER 886046
  • EP4 Inhibitor E7046
  • EP4 Antagonist E7046
  • AN 0025
  • Prostaglandin E EP4 Receptor Antagonist E7046
  • Prostaglandin E2 EP4 Receptor Inhibitor AN0025
  • (S)-4-(1-(3-(difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxamido)ethyl)benzoic acid
  • 4-[(1S)-1-[[3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carbonyl]amino]ethyl]benzoic acid
  • 4-[(1S)-1-[[[3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl]carbonyl]amino]ethyl]-benzoic acid
  • 4-[(1S)-1-[[[3-(Difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl]carbonyl]amino]ethyl]benzoic acid
  • (S)-4-[1-[3-(Difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamido]ethyl]benzoic Acid
  • 4-((1S)-1-(((3-(Difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazol-4-yl)carbonyl)amino)ethyl)benzoic acid
  • E 7046
  • Benzoic acid, 4-((1S)-1-(((3-(difluorometh
  • US8686018, 107

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
483.39 g/molcalc.
Exact mass
483.1217 Dacalc.
LogP (octanol/water)
5.36calc.
Topological polar surface area
93.45 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
7calc.
Heavy atoms
34calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.23calc.
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)c1cn[nH]c1Oc1ccccc1

O=C(NCc1ccccc1)c1cn[nH]c1Oc1ccccc1

3 rings, 22 atoms.

1 other chemical 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.

Palupiprant suppliers

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Palupiprant price

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Uses and applications

What the substance is used for, by industry and function

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 Palupiprant is traded under.

HS 2937.50Indicative HS code

Prostaglandins, thromboxanes and leukotrienes, their derivatives and structural analogues

World exports in 2024
$270M
+9.1% vs 2023, imports $304M
2019 to 2024
Top exporters
  1. Hungary22.8%
  2. Czech Republic21.6%
  3. South Korea14.6%
Top importers
  1. Japan17.0%
  2. Italy13.1%
  3. Germany10.4%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Palupiprant?

Palupiprant is an orally bioavailable antagonist of the prostaglandin E2 (PGE2) receptor type 4 (EP4, EP-4), with potential immunomodulating and antineoplastic activities.

What is the CAS number of Palupiprant?

The CAS registry number of Palupiprant is 1369489-71-3.

What is the molecular formula and weight of Palupiprant?

The molecular formula of Palupiprant is C22H18F5N3O4 and its molar mass is 483.39 g/mol.

What is Palupiprant used for?

Known uses and roles of Palupiprant include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Palupiprant hazardous?

No GHS hazard classification for Palupiprant 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 Palupiprant?

Palupiprant is usually classified under HS code 293750 (Prostaglandins, thromboxanes and leukotrienes, their derivatives and structural analogues). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Palupiprant?

Post a free request on CompoundList and suppliers of Palupiprant will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Palupiprant?

Suppliers quote Palupiprant 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

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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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