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Screening compounds

Ponalrestat

Also known as Ponalrestatum, ICI 128,436, 3-(4-Bromo-2-fluorobenzyl)-3,4-dihydro-4-oxo-1-phthalazineacetic acid

CAS 72702-95-5Formula C17H12BrFN2O3Molar mass 391.20 g/mol
4 suppliers listed
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Ponalrestat chemical structure, C17H12BrFN2O3, CAS 72702-95-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
72702-95-5
Formula
C17H12BrFN2O3
Molar mass
391.20 g/mol
HS code
293399
Category
Screening compounds

What is Ponalrestat?

Plain description, key identifiers and synonyms

2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxo-1-phthalazinyl]acetic acid is a member of phthalazines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acid
CAS number
72702-95-5 CAS number cross-checked
Molecular formula
C17H12BrFN2O3
UNII
2CV0A5G64E
MDL number
MFCD00204117
InChIKey
LKBFFDOJUKLQNY-UHFFFAOYSA-N
InChI
InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O

Synonyms

  • Ponalrestatum
  • ICI 128,436
  • 3-(4-Bromo-2-fluorobenzyl)-3,4-dihydro-4-oxo-1-phthalazineacetic acid
  • 3-(4-bromo-2-fluorobenzyl)-3,4-dihydro-4-oxo-3H-phthalazin-1-ylacetic acid
  • statil
  • 2-(3-(4-bromo-2-fluorobenzyl)-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid
  • C17H12BrFN2O3
  • 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acid
  • Ponalrestat (USAN/INN)
  • 1-Phthalazineaceticacid, 3-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-4-oxo-
  • 1-Phthalazineacetic acid, 3-((4-bromo-2-fluorophenyl)methyl)-3,4-dihydro-4-oxo-
  • 2-{3-[(4-bromo-2-fluorophenyl)methyl]-4-oxo-3,4-dihydrophthalazin-1-yl}acetic acid
  • Prodiax
  • Ponalrestat (statil)
  • MK-538, Statil
  • Statil?
  • Tocris-0847
  • DivK1c_006939
  • Ponalrestat - Bio-X trade mark
  • Bio1_000383
  • Bio1_000872
  • Bio1_001361
  • 2-(2-fluoro-4-bromobenzyl)-1,2-dihydro-1-oxophthalazin-4-ylacetic acid
  • 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-4-oxo-phthalazin-1-yl]acetic acid
  • 3-(4-Bromo-2-fluorobenzyl)-4-oxo-3,4-dihydrophthalazine-1-acetic Acid
Show all 28 synonyms
  • (ponalrestat)[3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid
  • [3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid
  • [3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid(ponalrestat)

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
391.20 g/molcalc.
Exact mass
390.0015 Dacalc.
LogP (octanol/water)
2.97calc.
Topological polar surface area
72.19 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
24calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.12calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 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=c1c2ccccc2cnn1Cc1ccccc1

O=c1c2ccccc2cnn1Cc1ccccc1

3 rings, 18 atoms, the 2-Benzyl-1-phthalazinone ring system.

38 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.

Ponalrestat suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 4 suppliers
4 of 4 offers

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

4 suppliers in 2 countries

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Ponalrestat price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Enzyme Inhibitors
  • Hypoglycemic Agents

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 Ponalrestat is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Ponalrestat?

2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxo-1-phthalazinyl]acetic acid is a member of phthalazines.

What is the CAS number of Ponalrestat?

The CAS registry number of Ponalrestat is 72702-95-5.

What is the molecular formula and weight of Ponalrestat?

The molecular formula of Ponalrestat is C17H12BrFN2O3 and its molar mass is 391.20 g/mol.

What is Ponalrestat used for?

Known uses and roles of Ponalrestat include building blocks in research and laboratory, screening compounds in research and laboratory, biochemical and pharmacological tools in research and laboratory, enzyme inhibitors and hypoglycemic agents.

Is Ponalrestat hazardous?

No GHS hazard classification for Ponalrestat 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 Ponalrestat?

Ponalrestat is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ponalrestat?

CompoundList lists 4 suppliers of Ponalrestat in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Ponalrestat?

Suppliers quote Ponalrestat 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 Ponalrestat

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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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