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1H-Pyrrolo[3,2-b]pyridine-3-acetonitrile is a chemical compound with the molecular formula C10H6N2. It belongs to the category of organic compounds known as 3-acetonitriles. 1H-Pyrrolo[3,2-b]pyridine-3-acetonitrile is often used in chemical research and development due to its unique structural properties. It can be identified by its standard InChIKey, which is YQHKGVJSSMHXLW-UHFFFAOYSA-N. The specific physical and chemical properties, such as its melting and boiling points, stability, toxicity, and solubility, may depend on its precise chemical structure and any functional groups or substituents present.

554453-19-9

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554453-19-9 Usage

Uses

Used in Chemical Research and Development:
1H-Pyrrolo[3,2-b]pyridine-3-acetonitrile is used as a research compound for its unique structural properties, which can be explored for various applications in the field of chemistry. Its potential uses may include the synthesis of new compounds, the study of its reactivity, or as a building block in the development of novel materials. 1H-Pyrrolo[3,2-b]pyridine-3-acetonitrile's properties, such as its stability and solubility, make it a valuable asset in the realm of chemical research.

Check Digit Verification of cas no

The CAS Registry Mumber 554453-19-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 5,5,4,4,5 and 3 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 554453-19:
(8*5)+(7*5)+(6*4)+(5*4)+(4*5)+(3*3)+(2*1)+(1*9)=159
159 % 10 = 9
So 554453-19-9 is a valid CAS Registry Number.
InChI:InChI=1/C9H7N3/c10-4-3-7-6-12-8-2-1-5-11-9(7)8/h1-2,5-6,12H,3H2

554453-19-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile

1.2 Other means of identification

Product number -
Other names 2,6-DIETHYLANILINE-D15

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:554453-19-9 SDS

554453-19-9Relevant academic research and scientific papers

INDOLE AHR INHIBITORS AND USES THEREOF

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Paragraph 00315; 00317, (2018/11/22)

The present invention provides compounds useful as inhibitors of AHR, compositions thereof, and methods of using the same.

FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE

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Paragraph 00652, (2016/07/27)

Described herein are fused bicyclic compounds, compositions, and methods for their use for the treatment of disease.

Optimization of the in vitro cardiac safety of hydroxamate-based histone deacetylase inhibitors

Shultz, Michael D.,Cao, Xueying,Chen, Christine H.,Cho, Young Shin,Davis, Nicole R.,Eckman, Joe,Fan, Jianmei,Fekete, Alex,Firestone, Brant,Flynn, Julie,Green, Jack,Growney, Joseph D.,Holmqvist, Mats,Hsu, Meier,Jansson, Daniel,Jiang, Lei,Kwon, Paul,Liu, Gang,Lombardo, Franco,Lu, Qiang,Majumdar, Dyuti,Meta, Christopher,Perez, Lawrence,Pu, Minying,Ramsey, Tim,Remiszewski, Stacy,Skolnik, Suzanne,Traebert, Martin,Urban, Laszlo,Uttamsingh, Vinita,Wang, Ping,Whitebread, Steven,Whitehead, Lewis,Yan-Neale, Yan,Yao, Yung-Mae,Zhou, Liping,Atadja, Peter

experimental part, p. 4752 - 4772 (2011/09/20)

Histone deacetylase (HDAC) inhibitors have shown promise in treating various forms of cancer. However, many HDAC inhibitors from diverse structural classes have been associated with QT prolongation in humans. Inhibition of the human ether a-go-go related gene (hERG) channel has been associated with QT prolongation and fatal arrhythmias. To determine if the observed cardiac effects of HDAC inhibitors in humans is due to hERG blockade, a highly potent HDAC inhibitor devoid of hERG activity was required. Starting with dacinostat (LAQ824), a highly potent HDAC inhibitor, we explored the SAR to determine the pharmacophores required for HDAC and hERG inhibition. We disclose here the results of these efforts where a high degree of pharmacophore homology between these two targets was discovered. This similarity prevented traditional strategies for mitigating hERG binding/modulation from being successful and novel approaches for reducing hERG inhibition were required. Using a hERG homology model, two compounds, 11r and 25i, were discovered to be highly efficacious with weak affinity for the hERG and other ion channels.

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