Specifications
- Purity
- ≥95.0% (HPLC)
- Appearance
- Orange powder
- Identity
- 1H-NMR
Properties
- Solvents
- chloroform
Documentation
- Safety Data Sheet (SDS)
- CDX A0163 MSDS.pdf
Available from stock
3,5-Dimethyl-NAPQI
- SKU
- A0163
Category: Metabolites
- Synonyms
- NA-3,5-Bqi , N-Acetyl-3,5-dimethyl-4-benzoquinone imine
- 74827-85-3
- CAS-Number
- C10H11NO2
- Molecular Formula
- 177.2
- Molecular Weight
- Shipping
- AMBIENT
- Short Term Storage
- +4°C
- Long Term Storage
- -20°C
- Handling Advice
- Protect from light and moisture.
- Use / Stability
- Stable for at least 2 years after receipt when stored at -20°C.
- Description
- Metabolite. Oxidizing analog of N-acetyl-p-benzoquinone imine (NAPQI), a toxic metabolite of acetaminophen (paracetamol). Primarily oxidizes protein thiols. Shows cytotoxic properties, through disruption of intracellular Ca2+ homeostasis. Compound can be used as analytical reference material.
- Smiles
- CC(C(C(C)=C/1)=O)=CC1=N/C(C)=O
- InChi Key
- VUPORYDINWWWKZ-UHFFFAOYSA-N
- References
- (1) R. van de Straat, et al.: Biochem. Pharmacol. 36, 2065 (1987) , (2) L. Rossi, et al.: Mol. Pharmacol. 34, 674 (1988) , (3) P. Nicotera, et al.: Chem. Res. Toxicol. 2, 46 (1989) , (4) P. Nicotera, et al.: Arch. Biochem. Biophys. 283, 200 (1990)
- InChi
- InChI=1S/C10H11NO2/c1-6-4-9(11-8(3)12)5-7(2)10(6)13/h4-5H,1-3H3
Metabolite. Oxidizing analog of N-acetyl-p-benzoquinone imine (NAPQI), a toxic metabolite of acetaminophen (paracetamol). Primarily oxidizes protein thiols. Shows cytotoxic properties, through disruption of intracellular Ca2+ homeostasis. Compound can be used as analytical reference material.
Additional information
| Synonyms | NA-3,5-Bqi, N-Acetyl-3,5-dimethyl-4-benzoquinone imine |
|---|---|
| Purity | ≥95.0% (HPLC) |
| Appearance | Orange powder |
| CAS-Number | 74827-85-3 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.2 |
| Identity | 1H-NMR |
| Solvents | chloroform |
| Smiles | CC(C(C(C)=C/1)=O)=CC1=N/C(C)=O |
| InChi Key | VUPORYDINWWWKZ-UHFFFAOYSA-N |
| Shipping | AMBIENT |
| Short Term Storage | +4°C |
| Long Term Storage | -20°C |
| Handling Advice | Protect from light and moisture. |
| Use / Stability | Stable for at least 2 years after receipt when stored at -20°C. |
| References | (1) R. van de Straat, et al.: Biochem. Pharmacol. 36, 2065 (1987), (2) L. Rossi, et al.: Mol. Pharmacol. 34, 674 (1988), (3) P. Nicotera, et al.: Chem. Res. Toxicol. 2, 46 (1989), (4) P. Nicotera, et al.: Arch. Biochem. Biophys. 283, 200 (1990) |
| InChi | InChI=1S/C10H11NO2/c1-6-4-9(11-8(3)12)5-7(2)10(6)13/h4-5H,1-3H3 |
| Quantity | 10 mg, 25 mg, Bulk |
