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1-[(3-Fluorophenyl)methyl]-5-nitro-1H-indazole is a chemical compound belonging to the indazole class of organic compounds, characterized by the molecular formula C14H10FN3O2. It features a 3-fluorophenylmethyl group and a nitro group attached to the indazole ring, which may confer potential bioactivity and pharmacological properties. 1-[(3-Fluorophenyl)methyl]-5-nitro-1H-indazole's structure indicates its potential use in the development of new drugs, particularly in antifungal or antimicrobial applications.

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  • 529508-58-5 Structure
  • Basic information

    1. Product Name: 1-[(3-Fluorophenyl)methyl]-5-nitro-1H-indazole
    2. Synonyms: 1-[(3-Fluorophenyl)methyl]-5-nitro-1H-indazole;1H-Indazole, 1-[(3-fluorophenyl)methyl]-5-nitro-;1-(3-Fluorobenzyl)-5-nitro-1H-indazole
    3. CAS NO:529508-58-5
    4. Molecular Formula: C14H10FN3O2
    5. Molecular Weight: 271.25
    6. EINECS: N/A
    7. Product Categories: API intermediates
    8. Mol File: 529508-58-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 447.697°C at 760 mmHg
    3. Flash Point: 224.559°C
    4. Appearance: /
    5. Density: 1.382g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.654
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: -0.82±0.30(Predicted)
    11. CAS DataBase Reference: 1-[(3-Fluorophenyl)methyl]-5-nitro-1H-indazole(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-[(3-Fluorophenyl)methyl]-5-nitro-1H-indazole(529508-58-5)
    13. EPA Substance Registry System: 1-[(3-Fluorophenyl)methyl]-5-nitro-1H-indazole(529508-58-5)
  • 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: 529508-58-5(Hazardous Substances Data)

529508-58-5 Usage

Uses

Used in Pharmaceutical Research:
1-[(3-Fluorophenyl)methyl]-5-nitro-1H-indazole is used as a research compound for exploring its potential bioactivity and pharmacological properties. Its unique structure suggests that it may contribute to the development of new drugs, especially in the fields of antifungal or antimicrobial agents.
Used in Drug Development:
In the pharmaceutical industry, 1-[(3-Fluorophenyl)methyl]-5-nitro-1H-indazole is utilized as a starting material or a building block in the synthesis of novel drug candidates. Its chemical properties and structural features can be further modified to enhance its therapeutic potential and target specific biological pathways.
Further research and testing are required to fully understand the compound's potential applications and effects in pharmaceutical or biomedical settings, ensuring its safety and efficacy for future therapeutic use.

Check Digit Verification of cas no

The CAS Registry Mumber 529508-58-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 5,2,9,5,0 and 8 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 529508-58:
(8*5)+(7*2)+(6*9)+(5*5)+(4*0)+(3*8)+(2*5)+(1*8)=175
175 % 10 = 5
So 529508-58-5 is a valid CAS Registry Number.
InChI:InChI=1/C14H10FN3O2/c15-12-3-1-2-10(6-12)9-17-14-5-4-13(18(19)20)7-11(14)8-16-17/h1-8H,9H2

529508-58-5SDS

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 1-(3-Fluorobenzyl)-5-nitro-1H-indazole

1.2 Other means of identification

Product number -
Other names 1-[(3-fluorophenyl)methyl]-5-nitroindazole

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:529508-58-5 SDS

529508-58-5Relevant articles and documents

Hetero-aromatic compound and its use in medicine

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Paragraph 0908; 0913-0916; 1489; 1492-1495, (2019/07/04)

The invention provides a hetero-aromatic compound or a stereisomer, geometric isomer, tautomer, despinner, nitrogen oxide, hydrate, solvate, metabolite, metabolism precursor and pharmaceutically acceptable salt or prodrug thereof, which is used for treating proliferative diseases. The invention also discloses a pharmaceutical composition containing the compound and an application of the compound or pharmaceutical composition thereof in preparation of a medicine for treating proliferative diseases.

QUINAZOLINE COMPOUNDS

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Page/Page column 11, (2012/01/14)

Provided are certain quinazoline compounds, compositions thereof and methods of use thereof. These quinazoline compound can effectively inhibit the overexpression and/or overactivity of epidermal growth factor receptor (EGFR).

QUINAZOLINE COMPOUNDS

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Page/Page column 10-11, (2012/01/14)

Provided are certain quinazoline compounds, compositions thereof and methods of use thereof. These quinazoline compounds can effectively inhibit the overexpression and/or overactivity of epidermal growth factor receptor (EGFR).

PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE

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Page/Page column 63, (2011/02/24)

Disclosed are novel quinazoline derivatives containing phosphorus substitutions and methods for the treatment of hyperproliferative diseases (e.g. cancer) using the compounds. These compounds are type I receptor protein kinase inhibitors useful in treating disorders related to abnormal protein kinase activities such as cancer and inflammation in mammals. Also disclosed are pharmaceutical compositions containing the compounds, methods for the preparation of the compounds and their pharmaceutically acceptable salts.

Synthesis and cytotoxic activity of 2,5-disubstituted pyrimido[5,4-c] quinoline derivatives

Zhang, Fan,Zhai, Xin,Chen, Li Juan,Qi, Jian Guo,Cui, Bo,Gu, Yu Cheng,Gong, Ping

scheme or table, p. 1277 - 1280 (2012/01/06)

A series of 2,5-disubstituted pyrimido[5,4-c]quinoline derivatives were synthesized and their cytotoxic activity against H460, HT-29 and MDA-MB-231 cell lines was evaluated in vitro. It was found that most of the tested compounds especially compound 17, s

Discovery and preclinical evaluation of [4-[[1-(3-fluorophenyl)methyl]-1H- indazol-5-ylamino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamic acid, (3S)-3-morpholinylmethyl ester (BMS-599626), a selective and orally efficacious inhibitor of human epide

Gavai, Ashvinikumar V.,Fink, Brian E.,Fairfax, David J.,Martin, Gregory S.,Rossiter, Lana M.,Holst, Christian L.,Kim, Soong-Hoon,Leavitt, Kenneth J.,Mastalerz, Harold,Han, Wen-Ching,Norris, Derek,Goyal, Bindu,Swaminathan, Shankar,Patel, Bharat,Mathur, Arvind,Vyas, Dolatrai M.,Tokarski, John S.,Chiang, Yu,Oppenheimer, Simone,Hongjian, Zhang,Marathe, Punit,Fargnoli, Joseph,Lee, Francis Y.,Wong, Tai W.,Vite, Gregory D.

supporting information; experimental part, p. 6527 - 6530 (2010/03/26)

Structure-activity relationships in a series of 4-[1H-indazol-5-ylamino] pyrrolo[2,1-f][1,2,4]triazine-6-carbamates identified dual human epidermal growth factor receptor (HER)1/HER2 kinase inhibitors with excellent biochemical potency and kinase selectiv

Synthesis and evaluation of aniline headgroups for alkynyl thienopyrimidine dual EGFR/ErbB-2 kinase inhibitors

Waterson, Alex G.,Petrov, Kimberly G.,Hornberger, Keith R.,Hubbard, Robert D.,Sammond, Douglas M.,Smith, Stephon C.,Dickson, Hamilton D.,Caferro, Thomas R.,Hinkle, Kevin W.,Stevens, Kirk L.,Dickerson, Scott H.,Rusnak, David W.,Spehar, Glenn M.,Wood, Edgar R.,Griffin, Robert J.,Uehling, David E.

scheme or table, p. 1332 - 1336 (2009/11/30)

Aniline 'headgroups' were synthesized and incorporated into an alkynyl thienopyrimidine series of EGFR and ErbB-2 inhibitors. Potent inhibition of enzyme activity and cellular proliferation was observed. In certain instances, protein binding was reduced a

4- (IH-INDAZOL-S-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER

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Page/Page column 89, (2008/06/13)

A quinazoline derivative of the Formula I: wherein the substituents are as defined in the text for use in the production of an anti proliferative effect which effect is produced alone or in part by inhibiting erbB2 receptor tyrosine kinase in a warm blood

NOVEL HETEROCYCLES

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Page/Page column 104-105, (2010/10/20)

The invention relates to novel heterocycles of formula (I) processes for their preparation and their use for preparing medicaments for the treatment or prophylaxis of disorders, especially of hyperproliferative disorders.

BENZOTHIENO’2,3-D! PYRIMIDINE COMPOUNDS AS INHIBITORS OF TYROSINE KINASE ACTIVITIES OF THE EPIDERMAL GROWTH FACTOR RECEPTORS (EGFRS) FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES

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Page/Page column 42-43, (2010/11/08)

This invention relates to novel compounds of formula (I) and processes for their preparation, their use for of treating diseases, particularly hyperproliferative diseases such as cancer, and methods of making pharmaceutical compositions for the treatment or prevention of disorders, particularly hyperproliferative diseases such as cancer. Wherein m is 0, 1 or 2; R3 is *-O(CH2)n AR, wherein Ar is phenyl, thienyl, furyl, pyrrolyl, thiazolyl, oxazolyl, imidazolyl, pyridyl, pyrimidyl od pyridazinyl, wherein Ar can optionally be substituted.

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