5-Aminoisoquinolin-1(2H)-one - CAS 93117-08-9
Catalog: |
BB040779 |
Product Name: |
5-Aminoisoquinolin-1(2H)-one |
CAS: |
93117-08-9 |
Synonyms: |
5-amino-2H-isoquinolin-1-one; 5-amino-2H-isoquinolin-1-one |
IUPAC Name: | 5-amino-2H-isoquinolin-1-one |
Description: | 5-Aminoisoquinolin-1(2H)-one (CAS# 93117-08-9) is a reactant used in the synthesis of glucoorticoid receptor agonists as well as PARP inhibitors used in the treatment of tumors. |
Molecular Weight: | 160.17 |
Molecular Formula: | C9H8N2O |
Canonical SMILES: | C1=CC2=C(C=CNC2=O)C(=C1)N |
InChI: | InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12) |
InChI Key: | SVASVGVAQIVSEZ-UHFFFAOYSA-N |
Boiling Point: | 477.3 °C at 760 mmHg |
Density: | 1.287 g/cm3 |
MDL: | MFCD06198896 |
LogP: | 1.69150 |
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 |
KR-20210052356-A | Method and Kit for Determining Reactivity to PARP inhibitor | 20191030 |
WO-2021086107-A1 | Method for determining reactivity to parp inhibitor | 20191030 |
WO-2021048235-A1 | Treatment of hr deficient cancer | 20190910 |
WO-2020097306-A1 | Compositions and methods for treating cancer | 20181108 |
EP-3877514-A1 | Compositions and methods for treating cancer | 20181108 |
PMID | Publication Date | Title | Journal |
27984176 | 20170301 | PARP inhibition protects against alcoholic and non-alcoholic steatohepatitis | Journal of hepatology |
23352507 | 20130401 | 5-AIQ inhibits H2O2-induced apoptosis through reactive oxygen species scavenging and Akt/GSK-3β signaling pathway in H9c2 cardiomyocytes | Toxicology and applied pharmacology |
22486217 | 20120701 | Dopaminochrome induces caspase-independent apoptosis in the mesencephalic cell line, MN9D | Journal of neurochemistry |
22631685 | 20120101 | 5-Aminoisoquinolinone reduces the expression of vascular endothelial growth factor-C via the nuclear factor-κB signaling pathway in CT26 cells | Asian Pacific journal of cancer prevention : APJCP |
21395487 | 20111201 | Inhibition of poly(ADP-ribose) polymerase-1 attenuates the toxicity of carbon tetrachloride | Journal of enzyme inhibition and medicinal chemistry |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.063662883 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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Quinoline/Isoquinoline
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