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Screening compounds

Nutlin 3

Also known as 2-Piperazinone, 4-[[(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-, rel-, 2-Piperazinone, 4-(((4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-(4-methoxy-2-(1-methylethoxy)phenyl)-1H-imidazol-1-yl)carbonyl)-, rel-, rel-4-(((4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-((propan-2-yl)oxy)-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl)carbonyl)piperazin-2-one

CAS 548472-68-0Formula C30H30Cl2N4O4Molar mass 581.50 g/molEC 637-233-8
GHS signal word: Warning. Pictograms: Harmful or irritant 35 suppliers listed
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Nutlin 3 chemical structure, C30H30Cl2N4O4, CAS 548472-68-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
548472-68-0
Formula
C30H30Cl2N4O4
Molar mass
581.50 g/mol
EC number
637-233-8
HS code
293359
Category
Screening compounds

What is Nutlin 3?

Plain description, key identifiers and synonyms

4-[[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-oxomethyl]-2-piperazinone is a stilbenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CAS number
548472-68-0 CAS number cross-checkedOther or deprecated CAS: 675576-97-3, 675576-98-4
EC numbers
637-233-8, 809-614-0
Molecular formula
C30H30Cl2N4O4
UNII
53IA0V845C, L7C92IOE65
MDL number
MFCD14636430
InChIKey
BDUHCSBCVGXTJM-WUFINQPMSA-N
InChI
InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
Canonical SMILES
COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1
Isomeric SMILES
CC(C)OC1=C(C=CC(=C1)OC)C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

Synonyms

  • 2-Piperazinone, 4-[[(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-, rel-
  • 2-Piperazinone, 4-(((4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-(4-methoxy-2-(1-methylethoxy)phenyl)-1H-imidazol-1-yl)carbonyl)-, rel-
  • rel-4-(((4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-((propan-2-yl)oxy)-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl)carbonyl)piperazin-2-one
  • Nutlin-3
  • nutlin-3A
  • Nutlin 3a
  • (-)-Nutlin-3
  • 4-[[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-2-Piperazinone
  • Rebemadlin
  • 4-((4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one
  • (-)-Nutlin 3
  • C30H30Cl2N4O4
  • 4-[(4S,5R)-4,5-Bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
  • (+)-Nutlin-3
  • 2-Piperazinone, 4-[[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-
  • 2-Piperazinone, 4-(((4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-(4-methoxy-2-(1-methylethoxy)phenyl)-1H-imidazol-1-yl)carbonyl)-
  • 4-[(4S,5R)-4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl]piperazin-2-one
  • Nutlin-3a?
  • 4hg7
  • 4j3e
  • (4S,5R)-Nutlin-3
  • dihydro-1H-imidazole-1-carbonyl)piperazin-2-one
  • 548472-68-0 (4R5S, and 4S5R)
  • Nutlin-3a, >=98% (HPLC)
  • cis-4-[[4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydroimidazole-1-yl]carbonyl]piperazin-2-one
Show all 34 synonyms
  • 4-((4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5
  • (+/-)-4-[4,5-bis-(4-chlorophenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-2-one
  • 4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazole-1-carbonyl]piperazin-2-one
  • (rac)-(4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl)(piperazin-1-yl)methanone
  • 4-(4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4, 5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one
  • 4-[(4s,5r)-4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-2-one
  • 4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
  • 4-[(4S,5R)-4,5-Bis(4-chlorophenyl)-2-{4-methoxy-2-[(propan-2-yl)oxy]phenyl}-4,5-dihydro-1H-imidazole-1-carbonyl]piperazin-2-one
  • 4-[(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-2-one

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
581.50 g/molcalc.
Exact mass
580.1644 Dacalc.
LogP (octanol/water)
5.89calc.
Topological polar surface area
83.47 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
40calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.3calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C1CN(C(=O)N2C(c3ccccc3)=NC(c3ccccc3)C2c2ccccc2)CCN1

O=C1CN(C(=O)N2C(c3ccccc3)=NC(c3ccccc3)C2c2ccccc2)CCN1

5 rings, 32 atoms.

12 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

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • 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.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • 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

Nutlin 3 suppliers

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Where suppliers are based

35 suppliers in 6 countries

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Nutlin 3 price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • anticoronaviral agent
  • antimicrobial agent
  • antiviral agent

Pharmacology

Rebemadlin is a small molecule and MDM2 (murine double minute 2) inhibitor, with potential antineoplastic activity. In cancer cells, rebemadlin antagonizes the binding of MDM2 to p53, thereby preventing MDM2-mediated p53 degradation. This results in stabilizing and activating p53-dependent cell cycle arrest and apoptosis. The protein MDM2, a negative regulator of p53 activity, is overexpressed in many cancer cell types, the tumor suppressor p53 is mutated or deleted in about 50% of all cancers but active in the other 50%.

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 Nutlin 3 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 Nutlin 3 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Nutlin 3, based on the data on this page

What is Nutlin 3?

4-[[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-oxomethyl]-2-piperazinone is a stilbenoid.

What is the CAS number of Nutlin 3?

The CAS registry number of Nutlin 3 is 548472-68-0. Other or deprecated CAS numbers: 675576-97-3, 675576-98-4.

What is the molecular formula and weight of Nutlin 3?

The molecular formula of Nutlin 3 is C30H30Cl2N4O4 and its molar mass is 581.50 g/mol.

What is Nutlin 3 used for?

Known uses and roles of Nutlin 3 include building blocks in research and laboratory, screening compounds in research and laboratory, anticoronaviral agent, antimicrobial agent and antiviral agent.

Is Nutlin 3 hazardous?

Nutlin 3 carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Nutlin 3?

Nutlin 3 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 Nutlin 3?

CompoundList lists 35 suppliers of Nutlin 3 in United States, China, Spain, United Kingdom and 2 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Nutlin 3?

Suppliers quote Nutlin 3 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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