3-Methoxybenzamide - CAS 5813-86-5
Catalog: |
BB029943 |
Product Name: |
3-Methoxybenzamide |
CAS: |
5813-86-5 |
Synonyms: |
3-methoxybenzamide |
Application: |
Poly(ADP-ribose) Polymerase Inhibitors |
IUPAC Name: | 3-methoxybenzamide |
Description: | 3-Methoxybenzamide is a competitive inhibitor of poly(ADP-ribose) synthetase with Ki values of less than 2 μM and also inhibits ADP-ribosyltransferase (ADPRT). |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | COC1=CC=CC(=C1)C(=O)N |
InChI: | InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10) |
InChI Key: | VKPLPDIMEREJJF-UHFFFAOYSA-N |
Boiling Point: | 280 °C at 760 mmHg |
Density: | 1.143 g/cm3 |
Appearance: | White powder |
LogP: | 1.49440 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112939964-A | Benzo-heterocycle substituted phenanthridine quaternary ammonium salt derivative and preparation method and application thereof | 20210309 |
CN-112142792-A | Novel method for constructing nitrogen-phosphorus double bonds through visible light catalysis | 20200916 |
CN-111875515-A | Method for generating amide by catalyzing primary amine with metal complex | 20200904 |
CN-112028726-A | Method for continuously preparing nitrile from amide | 20200818 |
CN-112028793-A | Method for preparing nitrile by bismuth complex catalytic amide dehydration | 20200817 |
PMID | Publication Date | Title | Journal |
22037978 | 20120201 | The expression pattern of ADP-ribosyltransferase 3 in rat traumatic brain injury | Journal of molecular histology |
22662141 | 20120101 | Chemical PARP inhibition enhances growth of Arabidopsis and reduces anthocyanin accumulation and the activation of stress protective mechanisms | PloS one |
22666352 | 20120101 | Artificial polyploidy improves bacterial single cell genome recovery | PloS one |
21870259 | 20110101 | Purification of recombinant poly(ADP-ribose) polymerases | Methods in molecular biology (Clifton, N.J.) |
20711458 | 20100811 | Characterization of ftsZ mutations that render Bacillus subtilis resistant to MinC | PloS one |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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