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1-Oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic acid is a complex organic compound with the molecular formula C16H11NO3. It is a derivative of isoquinoline, a heterocyclic aromatic organic compound with a benzene ring fused to a pyridine ring. This specific compound features a carboxylic acid group at the 3-position, a phenyl group at the 4-position, and an oxo group at the 1-position. It is a white crystalline solid and is used as an intermediate in the synthesis of various pharmaceuticals and other organic compounds. Due to its complex structure and potential applications, it is an important molecule in the field of organic chemistry and drug development.

78945-99-0

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78945-99-0 Usage

Molecular Structure

A complex structure that includes a dihydroisoquinoline core with a carboxylic acid group and a phenyl group attached to it.

Applications in Pharmaceutical Research

The compound may have applications in pharmaceutical research and drug development due to its structural components commonly found in bioactive molecules.

Building Block in Organic Synthesis

The presence of the carboxylic acid group suggests potential for use as a building block in organic synthesis.

Chemical and Biological Properties

The phenyl group could contribute to the compound's chemical and biological properties, which may be relevant for its potential applications.

Further Research

More research is needed to investigate the potential uses and properties of 1-OXO-4-PHENYL-1,2-DIHYDROISOQUINOLINE-3-CARBOXYLIC ACID.

Check Digit Verification of cas no

The CAS Registry Mumber 78945-99-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,8,9,4 and 5 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 78945-99:
(7*7)+(6*8)+(5*9)+(4*4)+(3*5)+(2*9)+(1*9)=200
200 % 10 = 0
So 78945-99-0 is a valid CAS Registry Number.

78945-99-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic acid

1.2 Other means of identification

Product number -
Other names 3-carbossi-4-fenil-1,2-diidro-1-ossiisochinolina

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:78945-99-0 SDS

78945-99-0Relevant academic research and scientific papers

2-Hydroxy-1-oxo-1,2-dihydroisoquinoline-3-carboxylic Acid with Inbuilt β-NHydroxy-γ-keto-Acid pharmacophore as HCV NS5B polymerase inhibitors

Deore,Chen,Chen,Chang,Chuang,Chern,Wang,Chern

, p. 613 - 624 (2012/07/28)

The inbuilt 2-N-hydroxy-1-oxo-3-carboxylic acid of isoquinolone was designed as pyrophosphate mimic for hepatitis C NS5B polymerase. Various 2-hydroxy-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid derivatives 11a-p were synthesized and evaluated as HCV NS5B polymerase inhibitors. Compound 11c exhibited moderate inhibitory potency based on the inorganic pyrophosphate generation (IC50 = 9.5 μM) and based on NTP incorporation by NS5B enzyme (IC50 = 5.9 μM). Compound 11c demonstrated antiviral activity (EC50 = 15.7 μM) and good selectivity in HCV genotype 1b replicon Ava.5 cells. Compound 11c reduced the interaction of NTP to NS5B polymerase. Docking model showed that 11c situated in similar orientation to the bound uridine triphosphate in the active site of NS5B polymerase. As a result, 2-hydroxy-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid was disclosed as a novel inbuilt β-Nhydroxy-γ-keto-acid pharmacophore for HCV NS5B polymerase inhibitors.

Chlorosulfonic acid-mediated cyclization of 4-phenyl-3-isocoumarincarboxylic acids and 4-phenyl-3-isoquinolinonecarboxylic acids: an efficient synthesis of 3-oxoindeno[2,1-c]isocoumarins and 3-oxoindeno[2,1-c]isoquinolinones

Jagtap, Prakash G.,Chen, Zhiyu,Southan, Garry J.

scheme or table, p. 2057 - 2059 (2009/09/06)

A highly efficient and clean method has been developed for the synthesis of 3-oxoindeno[2,1-c]isocoumarins and 3-oxoindeno[2,1-c]isoquinolinones from 4-phenyl-3-isocoumarincarboxylic acids and 4-phenyl-3-isoquinolinonecarboxylic acids, respectively.

METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE

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Page/Page column 104, (2010/11/28)

The invention relates to methods for treating or preventing erectile dysfunction or urinary incontinence, comprising administering to a subject in need thereof an effective amount of a compound of the invention.

Methods for treating or preventing erectile dysfunction or urinary incontinence

-

Page/Page column 60, (2010/02/15)

The present invention relates to methods for treating or preventing erectile dysfunction or urinary incontinence, comprising administering to a subject in need thereof an effective amount of a compound of the invention.

Tetracyclic lactam derivatives and uses thereof

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Page/Page column 33, (2010/02/14)

The present invention relates to Tetracyclic Lactam Derivatives, compositions comprising an effective amount of a Tetracyclic Lactam Derivative and methods for treating or preventing an inflammatory disease, a reperfusion injury, an ischemic condition, re

Tetracyclic benzamide derivatives and methods of use thereof

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Page 26; 44, (2010/02/09)

The invention relates to Tetracyclic Benzamide Derivatives; compositions comprising a Tetracyclic Benzamide Derivative; and methods for treating or preventing an inflammatory disease, a reperfusion disease, an ischemic condition, renal failure, diabetes,

Condensed-indan derivatives and pharmaceutically acceptable salts thereof

-

, (2008/06/13)

A condensed-indan derivative represented by formula (1) and a pharmaceutically acceptable salt thereof: STR1 wherein ring A represents an optionally substituted naphthalene ring, ring B represents an optionally substituted benzene ring or a benzene ring having a lower alkylenedioxy group. Y represents --N=CR-- or --CR=N--, R represents a --NR1 R2 group, an optionally substituted nitrogen-containing heterocyclic group or a --OR3 group, wherein R1 and R2 are the same or different and each is a hydrogen atom; a phenyl group; an optionally substituted nitrogen-containing heterocyclic group; or a lower alkyl group which may be substituted by at least one selected from the group consisting of an optionally substituted amino group, a lower alkoxy group, a phenyl group, a nitrogen-containing heterocyclic group, an amine oxide group substituted by a lower alkyl group or a hydroxyl group(s); R3 represents a lower alkyl group optionally substituted by a substituted amino group.

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