| Identification | Back Directory | [Name]
(3Z)-5-bromo-3-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-1H-indol-2-one | [CAS]
486443-73-6 | [Synonyms]
LC3-mHTT-IN-AN1
LC3-mHTT-IN-AN1 (Compound AN1)
(3Z)-5-bromo-3-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-1H-indol-2-one
2H-Indol-2-one, 5-bromo-3-[(3-bromo-4,5-dihydroxyphenyl)methylene]-1,3-dihydro- | [Molecular Formula]
C15H9Br2NO3 | [MDL Number]
MFCD03235520 | [MOL File]
486443-73-6.mol | [Molecular Weight]
411.04 |
| Chemical Properties | Back Directory | [Boiling point ]
586.111±50.00 °C(Press: 760.00 Torr)(predicted) | [density ]
1.976±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) | [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
DMSO: 125 mg/mL (304.11 mM) | [form ]
A solid | [pka]
7.212±0.25(predicted) | [color ]
Light yellow to yellow | [Water Solubility ]
Water: < 0.1 mg/mL (insoluble) | [InChI]
1S/C15H9Br2NO3/c16-8-1-2-12-9(6-8)10(15(21)18-12)3-7-4-11(17)14(20)13(19)5-7/h1-6,19-20H,(H,18,21) | [InChIKey]
GPKLWRHHVIBYEO-UHFFFAOYSA-N | [SMILES]
Brc1c(c(cc(c1)C=C2c3c(ccc(c3)Br)NC2=O)O)O |
| Hazard Information | Back Directory | [Uses]
LC3-mHTT-IN-AN1 (Compound AN1) is a mHTT-LC3 linker compound, which interacts with both mutant huntingtin protein (mHTT) and LC3B but not with wtHTT or irrelevant control proteins. LC3-mHTT-IN-AN1 reduces the levels of mHTT in an allele-selective manner in cultured Huntington disease (HD) mouse neurons[1]. | [Biological Activity]
AN1 is a brain blood barrier penetrant agent th at tether LC3 and mHTT and targets mHTT for autophagosome degradation. AN1 significantly lower mHTT in cortices of HD micein cells from patients with Huntington′s diseaseand neurons derived from induced pluripotent stem cells. AN1 does not lower wtHTT in fibroblasts from healthy human donors. It appears th at AN1 interact with the polyQ stretch. | [References]
[1] Li Z, et al. Allele-selective lowering of mutant HTT protein by HTT-LC3 linker compounds. Nature. 2019 Nov;575(7781):203-209. DOI:10.1038/s41586-019-1722-1 |
|
| Company Name: |
Twochem Co.Ltd.
|
| Telephone: |
021-58111628 15800915896 |
| Website: |
cn.twochem.com |
| Company Name: |
Bide Pharmatech Ltd.
|
| Telephone: |
400-1647117 13681763483 |
| Website: |
https://www.bidepharm.com/ |
| Company Name: |
InvivoChem
|
| Telephone: |
13549236410 |
| Website: |
https://www.invivochem.cn/ |
|