Nutlin-3 | CAS No. 548472-68-0

Nutlin-3

Basic Information

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CAS Number

548472-68-0

Molecular Formula

C30H30Cl2N4O4

Molecular Weight

581.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Solubility

DMSO: 20 mg/mL, soluble

SMILES

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CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

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+/m1/s1

InChIKey

BDUHCSBCVGXTJM-IZLXSDGUSA-N

LogP

5.885800000000005

Topological Polar Surface Area

83.47 Å²

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

919

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

SY289992
Nutlin3
MFCD07784509
BCP29278
AMY39899
AKOS005146527
nutlin 3
(Rac)-Nutlin-3
Rac-Nutlin-3
A861337
NCGC00165848-01
(??)-4-[4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-2-one
RG7112;R7112;rel-4-((4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one
4-[[4,5-Bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-2-piperazinone
AC-35939
MFCD11977784
SW220144-1
CCG-264800
Nutln 3A
SY283510
Nutlin-3
MFCD14636430
BRD-A12230535-001-01-8
J-523776
Nutlin 3(Random Configuration)
4-{[4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5- dihydro-1H-imidazol-1-yl]carbonyl}-2-piperazinone
548472-68-0
4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
BCP02265
(-)-4-(4,5-bis-(4-Chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl)piperazine-2-one
BCP05161

MDL Number

MFCD07784509

FAQ

What regulatory guidelines apply to Nutlin-3 (CAS: 548472-68-0)?

Nutlin-3 (CAS: 548472-68-0) is subject to several regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it is classified as a toxic substance. In the European Union, it falls under REACH regulations, requiring registration for substances above one tonne per year. For food and pharmaceutical applications, FDA and EPA regulations apply, requiring stringent testing and documentation.

Are there alternatives to Nutlin-3 (CAS: 548472-68-0) in synthesis?

Alternatives to Nutlin-3 (CAS: 548472-68-0) in synthesis include analogs such as 6-iodo-3-(4-methylphenyl)-1H-indole-2-carboxylic acid and similar structural isomers. Common alternative reagents used in synthesis include acetyl chloride and other appropriately substituted acids. These alternatives can offer similar biological activities with varying levels of toxicity and efficacy.

What is the market or research trend for Nutlin-3 (CAS: 548472-68-0)?

The market for Nutlin-3 (CAS: 548472-68-0) is growing in research fields, particularly in cancer therapy and cell cycle regulation studies. Research trends focus on its potential as a potent inhibitor of MDM2-p53 interaction. Market trends show increasing demand from pharmaceutical companies and academic institutions, driven by its promising anticancer properties. However, high costs and stringent testing requirements continue to pose challenges.

How should waste containing Nutlin-3 (CAS: 548472-68-0) be handled?

Waste containing Nutlin-3 (CAS: 548472-68-0) should be handled in accordance with regulatory guidelines. Waste should be collected in appropriate containers, labeled clearly, and stored under controlled conditions to prevent environmental contamination. For disposal, consulting with a hazardous waste management company is recommended. Incineration is a common method, but ensure it meets local emission standards. Always follow environmental protection precautions and local waste disposal regulations.