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1,2-Benzisoxazol-5-amine,6-fluoro-3-methyl-(9CI), also known as Flumeximine, is a fluoro substituted heterocyclic amine with the molecular formula C9H7FN2O. It is a derivative of 1,2-benzisoxazole and is known for its potential pharmacological properties, including its activity as an inhibitor of the enzyme poly(ADP-ribose) polymerase (PARP). This enzyme is involved in several cellular processes such as DNA repair and programmed cell death, making Flumeximine a promising candidate for therapeutic applications in the treatment of cancer and other diseases associated with PARP dysregulation.

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  • 221559-22-4 Structure
  • Basic information

    1. Product Name: 1,2-Benzisoxazol-5-amine,6-fluoro-3-methyl-(9CI)
    2. Synonyms: 1,2-Benzisoxazol-5-amine,6-fluoro-3-methyl-(9CI);6-FLUORO-3-METHYLBENZO[D]ISOXAZOL-5-AMINE;6-fluoro-3-methyl-1,2-Benzisoxazol-5-amine
    3. CAS NO:221559-22-4
    4. Molecular Formula: C8H7FN2O
    5. Molecular Weight: 166.154
    6. EINECS: N/A
    7. Product Categories: OXAZOLE
    8. Mol File: 221559-22-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 308.888 °C at 760 mmHg
    3. Flash Point: 140.611 °C
    4. Appearance: /
    5. Density: 1.358 g/cm3
    6. Vapor Pressure: 0.000662mmHg at 25°C
    7. Refractive Index: 1.63
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 1,2-Benzisoxazol-5-amine,6-fluoro-3-methyl-(9CI)(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1,2-Benzisoxazol-5-amine,6-fluoro-3-methyl-(9CI)(221559-22-4)
    12. EPA Substance Registry System: 1,2-Benzisoxazol-5-amine,6-fluoro-3-methyl-(9CI)(221559-22-4)
  • 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: 221559-22-4(Hazardous Substances Data)

221559-22-4 Usage

Uses

Used in Pharmaceutical Industry:
1,2-Benzisoxazol-5-amine,6-fluoro-3-methyl-(9CI) is used as a pharmaceutical agent for its potential therapeutic applications in the treatment of cancer. Its ability to inhibit the enzyme PARP makes it a promising candidate for targeting cancer cells and enhancing the efficacy of other cancer treatments.
Used in Medicinal Chemistry Research:
Due to its unique structure and chemical properties, 1,2-Benzisoxazol-5-amine,6-fluoro-3-methyl-(9CI) is used as a target for further research and development in the field of medicinal chemistry. Its potential as a PARP inhibitor and its involvement in various cellular processes make it an interesting compound for exploring new drug candidates and therapeutic strategies.
Used in DNA Repair and Programmed Cell Death Studies:
1,2-Benzisoxazol-5-amine,6-fluoro-3-methyl-(9CI) is used as a research tool in studies related to DNA repair mechanisms and programmed cell death. Its activity as a PARP inhibitor allows researchers to investigate the role of this enzyme in these processes and develop a better understanding of its implications in various diseases, including cancer.

Check Digit Verification of cas no

The CAS Registry Mumber 221559-22-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,2,1,5,5 and 9 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 221559-22:
(8*2)+(7*2)+(6*1)+(5*5)+(4*5)+(3*9)+(2*2)+(1*2)=114
114 % 10 = 4
So 221559-22-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H7FN2O/c1-4-5-2-7(10)6(9)3-8(5)12-11-4/h2-3H,10H2,1H3

221559-22-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-fluoro-3-methyl-1,2-benzoxazol-5-amine

1.2 Other means of identification

Product number -
Other names 5-amino-6-fluoro-3-methyl-1,2-benzisoxazole

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:221559-22-4 SDS

221559-22-4Relevant articles and documents

7-[2-[4-(6-fluoro-3-methyl-1,2-benzisoxazol-5-YL)-1-piperazinyl]ethyl]-2-(1-propynyl)-7H-pyrazolo-[4,3-e]-[1,2,4]-triazolo-[1,5-c]-pyrimidin-5amine

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Page/Page column 5, (2008/06/13)

The compound having the structural formula I or a pharmaceutically acceptable salt thereof, is disclosed, as well as its use in the treatment of central nervous system diseases, in particular Parkinson's disease, Extra Pyramidal Syndrome, restless legs syndrome and attention deficit hyperactivity disorder, pharmaceutical compositions comprising it, and combinations with other agents.

2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists

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Page/Page column 32-33, (2008/06/13)

Compounds having the structural formula I or a pharmaceutically acceptable salt thereof, wherein R is R1-isoxazolyl, R1-oxadiazolyl, R1-dihydrofuranyl, R1-pyrazolyl, R1-imidazolyl, R1-pyrazinyl or R1-pyrimidinyl; R1 is 1, 2 or 3 substituents selected from H, alkyl, alkoxy and halo; Z is optionally substituted-aryl, or optionally substituted-heteroaryl; are disclosed, as well as their use in the treatment of central nervous system diseases, in particular Parkinson's disease and Extra Pyramidal Syndrome, pharmaceutical compositions comprising them, and combinations with other agents.

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