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5-Bromoisoquinolin-1-amine is a chemical compound with the molecular formula C9H7BrN2, belonging to the isoquinoline derivatives and featuring a bromine atom. It has garnered attention in the fields of organic chemistry and drug discovery due to its potential applications in medicinal chemistry, particularly as a building block in the synthesis of bioactive molecules and as a pharmaceutical intermediate for interacting with biological targets.

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  • 852570-80-0 Structure
  • Basic information

    1. Product Name: 5-BROMOISOQUINOLIN-1-AMINE
    2. Synonyms: 5-BROMOISOQUINOLIN-1-AMINE;1-Amino-5-bromoisoquinoline;5-Bromo-1-isoquinolinamine;5-Bromoisoquinolin-1-amine, 1-Amino-5-bromo-2-azanaphthalene;5-bromoisoquinolin-1-ylamine
    3. CAS NO:852570-80-0
    4. Molecular Formula: C9H7BrN2
    5. Molecular Weight: 223.07
    6. EINECS: N/A
    7. Product Categories: Building Blocks;Isoquinoline
    8. Mol File: 852570-80-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 380.7 °C at 760 mmHg
    3. Flash Point: 184 °C
    4. Appearance: /
    5. Density: 1.649
    6. Vapor Pressure: 5.35E-06mmHg at 25°C
    7. Refractive Index: 1.732
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    9. Solubility: N/A
    10. PKA: 6.50±0.43(Predicted)
    11. CAS DataBase Reference: 5-BROMOISOQUINOLIN-1-AMINE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 5-BROMOISOQUINOLIN-1-AMINE(852570-80-0)
    13. EPA Substance Registry System: 5-BROMOISOQUINOLIN-1-AMINE(852570-80-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 41
    3. Safety Statements: 26-39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 852570-80-0(Hazardous Substances Data)

852570-80-0 Usage

Uses

Used in Medicinal Chemistry:
5-Bromoisoquinolin-1-amine is used as a building block for the synthesis of various bioactive molecules, contributing to the development of new pharmaceuticals with potential therapeutic applications.
Used in Pharmaceutical Intermediates:
5-Bromoisoquinolin-1-amine serves as a pharmaceutical intermediate, facilitating the creation of compounds that can be further modified or used in the production of drugs, enhancing the range of available treatments.
Used in Drug Discovery:
5-Bromoisoquinolin-1-amine is utilized in drug discovery processes, where its ability to interact with biological targets is explored for potential use in treating diseases and conditions, thereby expanding the scope of therapeutic interventions.

Check Digit Verification of cas no

The CAS Registry Mumber 852570-80-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,5,2,5,7 and 0 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 852570-80:
(8*8)+(7*5)+(6*2)+(5*5)+(4*7)+(3*0)+(2*8)+(1*0)=180
180 % 10 = 0
So 852570-80-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H7BrN2/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-5H,(H2,11,12)

852570-80-0SDS

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-bromoisoquinolin-1-amine

1.2 Other means of identification

Product number -
Other names 5-BROMO-1-ISOQUINOLINAMINE

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:852570-80-0 SDS

852570-80-0Downstream Products

852570-80-0Relevant articles and documents

BRIDGED BICYCLIC KALLIKREIN INHIBITORS

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Page/Page column 272, (2016/12/26)

Provided herein are kallikrein modulating compounds, pharmaceutical compositions comprising the same, and uses thereof.

BIS-ARYL AMIDE DERIVATIVES AND METHODS OF USE

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Page/Page column 60, (2008/12/07)

Selected compounds are effective for prophylaxis and treatment of diseases, such as c Met mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS

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Page/Page column 29, (2008/06/13)

A compound of Formula (I) wherein: One of R1 and R2 is H and the other represents - NHCONHR4 wherein R4 represents a phenyl or naphthyl group (which may be optionally substituted by one or more substituents independently selected from -C1-6 alkyl, -C1-6 haloalkyl, - CH2CH2CH2-, halogen, C1-6 alkoxy, C1-6 haloalkoxy, OH, NO2), C3-7 cycloalkyl or R4 together with the NH to which it is bonded forms a morpholino group and R3 is H or NHR5 wherein R5 is H, -quinolinyl or -isoquinolinyl, -(CONH)p phenyl (wherein p is 0 or 1 and the phenyl is optionally substituted by one or more substituents independently selected from halogen, -C1-6 alkyl, -C1-6 haloalkyl, -morpholino, -SO2NH2, benzothiazole (substituted by methyl)) or a salt, solvate, or physiologically functional derivative thereof.

1-AMINO-ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH INAPPROPRIATE ALK5

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

A compound of Formula (I) wherein R1 represents a phenyl or napthyl group (each of which is optionally substituted by one or more substituents independently selected from -OH, -C1-6alkyl, C1-6haloalkyl, -OCH2OCH3, -C1-6alkoxy, -halogen,), or a mono or bicyclic heteroaryl group comprising 1, 2 or 3 nitrogen atoms, optionally substituted by -C1-6alkoxy, -C1-6alkyl, C1-6haloalkyl or =0; R2 represents H, benzoimidazolyl, benzothiazolyl, isoquinolinyl, or quinolinyl group or phenyl (said phenyl being optionally substituted by -NR3R4, -C1-4alkoxy, -C1-6alkyl, -CONR3R4, -SO2NR3R4, -NHCONR3R4, -NHCOC1-6alkyl, -C1-6haloalkyl, -OCH2O-, -phenoxy (wherein the phenyl moiety is optionally substituted by NH2 ), -C1-3alkyl, -C1-3alkoxy, -CF3, -5 membered heteroaryl group comprising one or two nitrogen atoms). R3 and R4 are independently selected from H, -C1-6alkyl, -C1-3alkylNR5R6; R5 and R6 are independently H or C1-3alkyl; or a salt, solvate, or physiologically functional derivative thereof.

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