5-Amino-2H-isoquinoin-1-one structure, CAS 93117-08-9

5-Amino-2H-isoquinoin-1-one

CAS Number93117-08-9

Synonyms5-Amino-1(2H)-isoquinolinone; 5-Amino-2H-isoquinolin-1-one; 5-Aminoisoquinolin-1(2H)-one

Molecular FormulaC9H8N2O

Molecular Weight160.173

Purity

Density1.3±0.1 g/cm3

Boiling Point477.3±45.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

EINECS

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Symbol

Signal Word

Cat. No.: 2A-9082780 Purity:
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Quality Control of [ 93117-08-9 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number93117-08-9
Catalog No.2A-9082780
Chinese Name5-氨基-2H-异喹啉-1-酮
Synonyms5-Amino-1(2H)-isoquinolinone; 5-Amino-2H-isoquinolin-1-one; 5-Aminoisoquinolin-1(2H)-one
Molecular FormulaC9H8N2O
Molecular Weight160.173
Density1.3±0.1 g/cm3
Boiling Point477.3±45.0 °C at 760 mmHg
Storage Conditionroom temperature
Application5-AIQ (5-aminoisoquinolin-1-one) is a water-soluble PARP-1 inhibitor. 5-AIQ is an important functional group in various drugs. 5-AIQ can reduce tissue damage related to liver ischemia and reperfusion
HTC2933790090
SMILESNc1cccc2c(=O)[nH]ccc12
InChI KeySVASVGVAQIVSEZ-UHFFFAOYSA-N
MSDSmsds/82780_1_93117_08_9.pdf
Bioactivity5-AIQ (5-Aminoisoquinolin-1-one) is a water-soluble PARP-1 inhibitor. 5-AIQ is an important functional group in various drugs. 5-AIQ reduces the tissue injury associated with ischemia-reperfusion of the liver, it can be used for the research of the therapy conditions associated with ischemia-reperfusion of the liver[1][2]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Epigenetics >> PARP Signaling Pathways >> Cell Cycle/DNA Damage >> PARP Target PARP-1 In Vitro 5-AIQ (5000 μg) significantly reduces the number of colonies of TA 98 without metabolic activation, and TA 98 and TA 1537 with metabolic activation[1]. In Vivo 5-AIQ (150 and 250 mg/kg; p.o.; once) possess no significantly genotoxic in vivo system by micronucleus test[1]. 5-AIQ (3 mg/kg; p.o.; 5 min prior to onset of liver ischemia) reduces the tissue injury associated with ischemia-reperfusion of the liver[2]. Animal Model: Male mice[1] Dosage: 150 and 250 mg/kg Administration: Oral gavage; 150 and 250 mg/kg; once Result: Showed no increase of micronucleated polychromatic erythrocytes (MNPCE) in both 24 h and 48 h after both 125 and 250 mg/kg duration exposure as compared to the corresponding control. Animal Model: Anesthetised male Wistar rats with liver ischemia (for 30 minutes) and reperfusion (for 2 hours) [2] Dosage: 3 mg/kg Administration: Intravenous injection; 3 mg/kg; 5 min prior to onset of liver ischemia Result: Reduced PARP activation and showed less staining for ICAM-1. References [1]. Vinod KR, Chandra S, Sharma SK. Evaluation of 5-aminoisoquinoline (5-AIQ), a novel PARP-1 inhibitor for genotoxicity potential in vitro and in vivo. Toxicol Mech Methods. 2010 Feb;20(2):90-5. [2]. Mota-Filipe H, et al. The novel PARP inhibitor 5-aminoisoquinolinone reduces the liver injury caused by ischemia and reperfusion in the rat. Med Sci Monit. 2002 Nov;8(11):BR444-53. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 477.3±45.0 °C at 760 mmHg Molecular Formula C9H8N2O Molecular Weight 160.173 Flash Point 242.4±28.7 °C Exact Mass 160.063660 PSA 58.88000 LogP -0.15 Vapour Pressure 0.0±1.2 mmHg at 25°C Index of Refraction 1.657 InChIKey SVASVGVAQIVSEZ-UHFFFAOYSA-N SMILES Nc1cccc2c(=O)[nH]ccc12
Use of5-AIQ (5-Aminoisoquinolin-1-one) is a water-soluble PARP-1 inhibitor. 5-AIQ is an important functional group in various drugs. 5-AIQ reduces the tissue injury associated with ischemia-reperfusion of the liver, it can be used for the research of the therapy conditions associated with ischemia-reperfusion of the liver[1][2]. Properties Name 5-Aminoisoquinolin-1(2H)-one Synonym More Synonyms 5-Aminoisoquinolin-1(2H)-one Biological Activity Description 5-AIQ (5-Aminoisoquinolin-1-one) is a water-soluble PARP-1 inhibitor. 5-AIQ is an important functional group in various drugs. 5-AIQ reduces the tissue injury associated with ischemia-reperfusion of the liver, it can be used for the research of the therapy conditions associated with ischemia-reperfusion of the liver[1][2]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Epigenetics >> PARP Signaling Pathways >> Cell Cycle/DNA Damage >> PARP In Vitro 5-AIQ (5000 μg) significantly reduces the number of colonies of TA 98 without metabolic activation, and TA 98 and TA 1537 with metabolic activation[1]. References [1]. Vinod KR, Chandra S, Sharma SK. Evaluation of 5-aminoisoquinoline (5-AIQ), a novel PARP-1 inhibitor for genotoxicity potential in vitro and in vivo. Toxicol Mech Methods. 2010 Feb;20(2):90-5. [2]. Mota-Filipe H, et al. The novel PARP inhibitor 5-aminoisoquinolinone reduces the liver injury caused by ischemia and reperfusion in the rat. Med Sci Monit. 2002 Nov;8(11):BR444-53. Chemical & Physical Properties Molecular Formula C9H8N2O Exact Mass 160.063660 PSA 58.88000 LogP -0.15 Index of Refraction 1.657 InChIKey SVASVGVAQIVSEZ-UHFFFAOYSA-N
Tax Rebate9.0%
SupervisionNone MFN tariff: 9.0% Ordinary tariff: 20.0%
Transport InfoProduct name: Summary 2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%
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