3-[(5Z)-5-{2-[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]hydrazin-1-ylidene}-6-oxocyclohexa-1,3-dien-1-yl]benzoic acid

Basic Information

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CAS Number

496775-61-2

Molecular Formula

C25H22N4O4

Molecular Weight

442.48 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

242-244°C

SMILES

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CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)N=NC3=CC=CC(=C3O)C4=CC(=CC=C4)C(=O)O)C

InChI

InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,27-28H,1-3H3,(H,32,33)/b26-21-

InChIKey

TYEXNVNUZXJNBN-QLYXXIJNSA-N

LogP

3.779460000000002

Topological Polar Surface Area

116.55 Å²

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

812

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

CHEMBL3186485
UNII-S56D65XJ9G
AB01274808-01
496775-61-2
NCGC00274067-02
s4502
3-[2-[(2Z)-1-(3,4-Dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazinyl]-2-hydroxy-[1,1-biphenyl]-3-carboxylic acid
3'-{2-[(4E)-1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid
(Z)-3'-(2-(1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazineyl)-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid
BDBM50248106
3'-{N'-[1-(3,4-dimethyl-phenyl)-3-methyl-5-oxo-1,5-dihydropyrazol-4-ylidene]hydrazino}-2'-hydroxybiphenyl-3-carboxylic acid
Tox21_113965
3'-[2-[(2Z)-1-(3,4-Dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazinyl]-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid
(1,1'-Biphenyl)-3-carboxylic acid, 3'-((2Z)-(1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)hydrazino)-2'-hydroxy-
EN300-23586760
3'-{2-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid
Eltrombopag (SB-497115-GR)
Eltrombopag- Bio-X
BE164406
DTXSID5057753
NCGC00274067-01
SMR004701208
AKOS015920246
BCP9000641
(ZE)-Eltrombopag
AS-19180
HMS3743O17
3-[(5Z)-5-{2-[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]hydrazin-1-ylidene}-6-oxocyclohexa-1,3-dien-1-yl]benzoic acid
Eltrombopag [INN]
MFCD20926253
496775-61-2 (free base)

MDL Number

MFCD24444598

Customs Code

2933990090

FAQ

What is 3-[(5Z)-5-{2-[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]hydrazin-1-ylidene}-6-oxocyclohexa-1,3-dien-1-yl]benzoic acid (CAS: 496775-61-2)?

3-[(5Z)-5-{2-[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]hydrazin-1-ylidene}-6-oxocyclohexa-1,3-dien-1-yl]benzoic acid (CAS: 496775-61-2) is a complex organic compound containing multiple functional groups, including a hydrazone, a pyrazole ring, and a cyclohexenone moiety. It is known for its potential biological activity and is often used in the synthesis of pharmaceutical compounds and organic materials.

What are the main uses of 3-[(5Z)-5-{2-[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]hydrazin-1-ylidene}-6-oxocyclohexa-1,3-dien-1-yl]benzoic acid (CAS: 496775-61-2)?

This compound is primarily used in pharmaceutical research for the development of drugs targeting specific biological pathways. It is also applied in the synthesis of organic compounds with potential applications in materials science and chemical research, due to its unique structure and reactivity. Its use in food or industrial settings is limited and not widely documented.

Is 3-[(5Z)-5-{2-[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]hydrazin-1-ylidene}-6-oxocyclohexa-1,3-dien-1-yl]benzoic acid (CAS: 496775-61-2) safe?

Safety data for this compound is limited, but as with many complex organic molecules, it is recommended to handle it with care. Protective measures such as gloves, goggles, and proper ventilation should be used. It should be stored in a controlled environment to ensure stability and minimize potential risks. Always follow safety guidelines when working with chemical compounds.

How should 3-[(5Z)-5-{2-[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]hydrazin-1-ylidene}-6-oxocyclohexa-1,3-dien-1-yl]benzoic acid (CAS: 496775-61-2) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at 2-8°C. It is sensitive to moisture and light, so it should be kept in a sealed container and protected from exposure. Maintaining stable storage conditions is essential to preserve its chemical integrity and effectiveness for research or pharmaceutical applications.