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1(2H)-Isoquinolinone, 3,4-dihydro-5-methyl-, also known as PNU-22394E, is a chemical compound with the molecular formula C10H11NO. It is an isoquinolinone derivative that has been studied for its potential pharmaceutical properties. 1(2H)-Isoquinolinone, 3,4-dihydro-5-methylis of interest in the fields of medicinal chemistry and drug development due to its ability to interact with GABA receptors in the brain, which may contribute to its potential as an antipsychotic and anxiolytic agent.

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  • 129075-56-5 Structure
  • Basic information

    1. Product Name: 1(2H)-Isoquinolinone, 3,4-dihydro-5-methyl-
    2. Synonyms: 1(2H)-Isoquinolinone, 3,4-dihydro-5-methyl-;3,4-dihydro-5-methyl-1(2H)-isoquinolinone;3,4-Dihydro-5-methoxyisoquinolin-1(2H)one;Pd 128763;5-Methyl-1,2,3,4-tetrahydroisoquinolin-1-one
    3. CAS NO:129075-56-5
    4. Molecular Formula: C10H11NO
    5. Molecular Weight: 161.08
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 129075-56-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 413.769 °C at 760 mmHg
    3. Flash Point: 243.511 °C
    4. Appearance: /
    5. Density: 1.111
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.557
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 15.12±0.20(Predicted)
    11. CAS DataBase Reference: 1(2H)-Isoquinolinone, 3,4-dihydro-5-methyl-(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1(2H)-Isoquinolinone, 3,4-dihydro-5-methyl-(129075-56-5)
    13. EPA Substance Registry System: 1(2H)-Isoquinolinone, 3,4-dihydro-5-methyl-(129075-56-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 129075-56-5(Hazardous Substances Data)

129075-56-5 Usage

Uses

Used in Pharmaceutical Industry:
1(2H)-Isoquinolinone, 3,4-dihydro-5-methylis used as a potential antipsychotic agent for its ability to interact with GABA receptors in the brain, which may help in managing symptoms associated with psychotic disorders.
1(2H)-Isoquinolinone, 3,4-dihydro-5-methylis also used as a potential anxiolytic agent for its potential to modulate GABAergic neurotransmission, which could provide relief from anxiety symptoms.
Additionally, the compound's structure and properties make it a subject of interest for research in drug development, where it may be further explored for other therapeutic applications based on its interaction with GABA receptors.

Check Digit Verification of cas no

The CAS Registry Mumber 129075-56-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,9,0,7 and 5 respectively; the second part has 2 digits, 5 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 129075-56:
(8*1)+(7*2)+(6*9)+(5*0)+(4*7)+(3*5)+(2*5)+(1*6)=135
135 % 10 = 5
So 129075-56-5 is a valid CAS Registry Number.
InChI:InChI=1/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)

129075-56-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-Methyl-3,4-dihydroisoquinolin-1(2H)-one

1.2 Other means of identification

Product number -
Other names 5-methyl-3,4-dihydro-2H-isoquinolin-1-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:129075-56-5 SDS

129075-56-5Downstream Products

129075-56-5Relevant articles and documents

Synthesis of 3,4-dihydro-1(2H)-isoquinolinones

Showalter,Sercel,Stier,Turner

, p. 961 - 964 (2001)

Approaches toward the preparative-scale synthesis of target 3,4-dihydro-1(2H)-isoquinolinones 1-3 are presented. Compounds 1 and 2 were prepared via a Schmidt rearrangement on easily obtained indanone precursors, but in low overall yield. A better method

Rational Design of Cell-Active Inhibitors of PARP10

Morgan, Rory K.,Kirby, Ilsa T.,Vermehren-Schmaedick, Anke,Rodriguez, Kelsie,Cohen, Michael S.

supporting information, p. 74 - 79 (2019/01/04)

Poly-ADP-ribose polymerases (PARPs 1-16) have emerged as major regulators of diverse cellular processes. PARPs can be subclassified based on their ability to catalyze poly-ADP-ribosylation (PARylation) or mono-ADP-ribosylation (MARylation). While much is

Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process

-

, (2008/06/13)

The invention is selected, novel, and known analogs of isoquinolinones of the formula and pharmaceutically acceptable salts thereof; novel pharmaceutical compositions; and a method for enhancing the lethal effects for tumor cells to treatment having DNA damaging activity such as ionizing radiation or with chemotherapeutic agents.

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