N-[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-4-[3-[[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]carbamoyl]propylsulfanyl]butanehydrazide

Modify Date: 2026-07-17 12:40:11

N-[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-4-[3-[[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]carbamoyl]propylsulfanyl]butanehydrazide Structure
N-[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-4-[3-[[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]carbamoyl]propylsulfanyl]butanehydrazide structure
Common Name N-[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-4-[3-[[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]carbamoyl]propylsulfanyl]butanehydrazide
CAS Number 6325-13-9 Molecular Weight 442.53
Density 1.351g/cm3 Boiling Point 621.9ºC at 760 mmHg
Molecular Formula C22H26N4O4S Melting Point N/A
MSDS N/A Flash Point 329.9ºC

 Use of N-[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-4-[3-[[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]carbamoyl]propylsulfanyl]butanehydrazide


Nrf2-IN-3 (Compound R16) is a Nrf2 inhibitor. Nrf2-IN-3 binds KEAP1 mutants (G333C mKEAP1) and repairs the disrupted KEAP1/NRF2 interactions. Nrf2-IN-3 sensitizes KEAP1-mutated cancer cells to Cisplatin (HY-17394) and Gefitinib (HY-50895) by repairing the mKEAP1/NRF2 complex[1].

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide
Synonym More Synonyms

  Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description Nrf2-IN-3 (Compound R16) is a Nrf2 inhibitor. Nrf2-IN-3 binds KEAP1 mutants (G333C mKEAP1) and repairs the disrupted KEAP1/NRF2 interactions. Nrf2-IN-3 sensitizes KEAP1-mutated cancer cells to Cisplatin (HY-17394) and Gefitinib (HY-50895) by repairing the mKEAP1/NRF2 complex[1].
Related Catalog
References

[1]. Aboulkassim T, et al. A NRF2 inhibitor selectively sensitizes KEAP1 mutant tumor cells to cisplatin and gefitinib by restoring NRF2-inhibitory function of KEAP1 mutants. Cell Rep. 2023 Sep 12;42(9):113104.  

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.351g/cm3
Boiling Point 621.9ºC at 760 mmHg
Molecular Formula C22H26N4O4S
Molecular Weight 442.53
Flash Point 329.9ºC
Exact Mass 442.16700
PSA 148.68000
LogP 3.77360
Index of Refraction 1.681
InChIKey MWGPMYRFUXZJAS-UHFFFAOYSA-N
SMILES O=C(CCCSCCCC(=O)NN=Cc1ccccc1O)NN=Cc1ccccc1O

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

4,4'-Sulfandiyl-di-buttersaeure-bis-salicylidenhydrazid
4,4'-sulfanediyl-di-butyric acid bis-salicylidenehydrazide

  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the uses of N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide?
A: Main uses of N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide: Nrf2-IN-3 (Compound R16) is a Nrf2 inhibitor. Nrf2-IN-3 binds KEAP1 mutants (G333C mKEAP1) and repairs the disrupted KEAP1/NRF2 interactions. Nrf2-IN-3 sensitizes KEAP1-mutated cancer cells to Cisplatin (HY-17394) and Gefitinib (HY-50895) by repairing the mKEAP1/NRF2 complex[1].
Q: What is the molecular weight of N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide?
A: Molecular weight of N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide is 442.53.
Q: What is the English name of N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide?
A: The English name of N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide is N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide.
Q: What is the SMILES notation of N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide?
A: SMILES notation of N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide is O=C(CCCSCCCC(=O)NN=Cc1ccccc1O)NN=Cc1ccccc1O.
Q: What is the boiling point of N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide?
A: Boiling point of N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide is 621.9ºC at 760 mmHg.
Q: What is the Chinese name of 6325-13-9?
A: Chinese name of 6325-13-9 is 6325-13-9.
Q: What is the InChIKey of N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide?
A: InChIKey of N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide is MWGPMYRFUXZJAS-UHFFFAOYSA-N.
Q: What English synonyms does N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide have?
A: English synonyms of N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide: 4,4'-Sulfandiyl-di-buttersaeure-bis-salicylidenhydrazid, 4,4'-sulfanediyl-di-butyric acid bis-salicylidenehydrazide.
Q: What is the CAS number of N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide?
A: CAS number of N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide is 6325-13-9.
Q: What is the polar surface area (PSA) of N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide?
A: Polar surface area (PSA) of N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-[4-oxo-4-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butyl]sulfanylbutanehydrazide is 148.68000.

 factory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

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