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About This Item
Empirical Formula (Hill Notation):
C13H12ClNO3
CAS Number:
Molecular Weight:
265.69
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.77
Assay
≥98% (HPLC)
form
powder
color
white to tan
solubility
DMSO: ≥15 mg/mL
storage temp.
2-8°C
SMILES string
ClC(C1=C(N2C)C=CC=C1)=C(C(OCC)=O)C2=O
InChI
1S/C13H12ClNO3/c1-3-18-13(17)10-11(14)8-6-4-5-7-9(8)15(2)12(10)16/h4-7H,3H2,1-2H3
InChI key
XUJQDJGGHFNYDY-UHFFFAOYSA-N
Biochem/physiol Actions
AI-1 positively regulates antioxidant response element (ARE)-driven gene transcription through the activation of Nuclear factor E2-related factor 2 (Nrf2), an ARE-binding transcription factor.
AI-1 promotes Nrf2 activation via the covalent modification of Kelch-like ECH-associated protein 1 (Keap1), a negative regulator of Nrf2. Biochemical studies indicate that an aromatic chloride present within the AI-1 molecule undergoes a nucleophilic aromatic substitution reaction with cysteine thiols of Keap1.
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
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