Basic information
- CAS
173043-84-0- Standard SMILES
CN(N=O)c1ccc(O)c(O)c1- InChIKey
XAKAQCMEMMZUEO-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.05349212
Names & identifiers
- Preferred name
- 4-[methyl(Nitroso)amino]benzene-1,2-Diol
- IUPAC
- N-(3,4-dihydroxyphenyl)-N-methylnitrous amide
- English name
- 1,2-Benzenediol, 4-(methylnitrosoamino)-
- Molecular formula
- C7H8N2O3
- Molecular weight
- 168.15
Names & synonyms
3,4-dephostatinMe-3,4-dephostatinMethyl-3,4-dephostatin3,4-Dihydroxy-N-methyl-N-nitrosoaniline173043-84-04-[methyl(Nitroso)amino]benzene-1,2-DiolN-(3,4-Dihydroxyphenyl)-N-methylnitrous amideLopac-M-9440L2037 (beta-lapachone)P00017Lopac0_000871MN30
Show more names
APOBEC3G inhibitor MN301,2-Benzenediol, 4-(methylnitrosoamino)-
orb1739248SCHEMBL3894012CHEMBL1256623SCHEMBL13448407BDBM81347EU0100871_PURCHASEDDTXSID801017608GLXC-15488
Database identifiers
- CAS
173043-84-0- PubChem CID
- 1607
- DTXSID
DTXSID801017608- ChEMBL
CHEMBL1256623- Nikkaji
- J707.912E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 18 mg/mLH2O: · DMSO: soluble 18mg/mLH2O: insoluble
- form
- powder
- color
- red-brown
- InChI
- 1S/C7H8N2O3/c1-9(8-12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3
- InChIKey
- XAKAQCMEMMZUEO-UHFFFAOYSA-N
- SMILES
- CN(N=O)c1ccc(O)c(O)c1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesMethyl-3,4-dephostatin has been used as: an inhibitor for methyltransferases a kinase-related inhibitor for human transglutaminasea cysteine binding compound for screening its effect on C-terminal domain (CTD) of human immunodeficiency virus (HIV-1) capsid protein
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…