5-Aminoisoquinolin-1(2H)-one

Modify Date: 2024-01-10 13:19:13

5-Aminoisoquinolin-1(2H)-one structure	Common Name	5-Aminoisoquinolin-1(2H)-one
	CAS Number	93117-08-9	Molecular Weight	160.173
	Density	1.3±0.1 g/cm3	Boiling Point	477.3±45.0 °C at 760 mmHg
	Molecular Formula	C₉H₈N₂O	Melting Point	N/A
	MSDS	N/A	Flash Point	242.4±28.7 °C

Use of 5-Aminoisoquinolin-1(2H)-one

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].

Name	5-Aminoisoquinolin-1(2H)-one
Synonym	More Synonyms

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
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.

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

Material Safety Data Sheet

Section1. Identiﬁcation of the substance
Product Name: 5-Amino-2h-isoquinolin-1-one
Synonyms:

Section2. Hazards identiﬁcation
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:5-Amino-2h-isoquinolin-1-one
CAS number:93117-08-9

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
ﬂushing of the eyes by separating the eyelids with ﬁngers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire ﬁghting measures
In the event of a ﬁre involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualiﬁed
in the handling and use of potentially hazardous chemicals, who should take into account the ﬁre,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not speciﬁed
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C9H8N2O
Molecular weight:160.2

Section10. Stability and reactivity
Conditions to avoid: Heat, ﬂames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

HS Code	2933790090

5-Nitro-1(2H)-i...

CAS#:82827-08-5

~89%

5-Aminoisoquino...

CAS#:93117-08-9

Literature: Rehwinkel, Hartmut; Baeurle, Stefan; Berger, Markus; Schmees, Norbert; Schaecke, Heike; Krolikiewicz, Konrad; Mengel, Anne; Nguyen, Duy; Jaroch, Stefan; Skuballa, Werner Patent: US2005/131226 A1, 2005 ; Location in patent: Page/Page column 8-9 ;

5-Nitro-1(2H)-i...

CAS#:82827-08-5

Carbon

CAS#:7440-44-0

5-Aminoisoquino...

CAS#:93117-08-9

Literature: US5177075 A1, ;

Precursor 2
CAS#:82827-08-5 5-Nitro-1(2H)-i... CAS#:7440-44-0 Carbon
DownStream 0

HS Code	2933790090
Summary	2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

5-Amino-1(2H)-isoquinolinone

5-Amino-2H-isoquinolin-1-one

5-Aminoisoquinolin-1(2H)-one

1(2H)-Isoquinolinone, 5-amino-

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: 5-Aminoisoquinolin-1(2H)-one
Price: ￥2316.0/1g ￥926.0/250mg ￥576.0/100mg
Purity: 97.0%
Stocking Period: 1 Day
Contact: Liu jia

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 5-AMINOISOQUINOLIN-1(2H)-ONE
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

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