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
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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 | ||
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| 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]butanehydrazideNrf2-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]. |
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 |
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| Synonym | More Synonyms |
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]. |
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| Related Catalog | |
| References |
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 |
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 |
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. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |