928653-81-0

Basic information

• Product Name: 5-BROMO-3-IODO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER
• Synonyms: 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-bromo-3-iodo-, 1,1-dimethylethyl ester
• CAS NO: 928653-81-0
• Molecular Formula: C12H12BrIN2O2
• Molecular Weight: 423.06
• Mol File: 928653-81-0.mol

Chemical Properties

• Boiling Point: 428.6°C at 760 mmHg
• Flash Point: 213°C
• Appearance: /
• Density: 1.91g/cm³
• Vapor Pressure: 1.5E-07mmHg at 25°C
• Refractive Index: 1.666
• CAS DataBase Reference: 5-BROMO-3-IODO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 5-BROMO-3-IODO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER(928653-81-0)
• EPA Substance Registry System: 5-BROMO-3-IODO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER(928653-81-0)

Safety Data

• Hazard Codes: Xi
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 928653-81-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research and Development:
5-Bromo-3-iodo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester is used as a key intermediate in the synthesis of biologically active compounds for pharmaceutical applications. Its presence in the molecular structure can contribute to the development of new drugs with potential therapeutic benefits.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 5-Bromo-3-iodo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester is used as a building block for the creation of novel chemical entities. Its unique combination of bromine and iodine atoms allows for the exploration of new chemical space and the potential discovery of compounds with improved pharmacological properties.
Used in Antiviral Applications:
5-Bromo-3-iodo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester is being investigated for its potential antiviral properties. Its ability to interfere with viral replication or inhibit viral enzymes could lead to the development of new antiviral therapies.
Used in Anticancer Applications:
5-BROMO-3-IODO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER is also being studied for its potential anticancer properties. Its incorporation into the structure of other molecules may enhance their ability to target and kill cancer cells, offering a new avenue for cancer treatment.
Used in Chemical Synthesis:
5-Bromo-3-iodo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester is used as a versatile synthetic building block in organic chemistry. Its reactivity and functional groups make it suitable for a wide range of chemical reactions, facilitating the synthesis of complex organic molecules.

InChI:InChI=1/C12H12BrIN2O2/c1-12(2,3)18-11(17)16-6-9(14)8-4-7(13)5-15-10(8)16/h4-6H,1-3H3

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 183208-35-7 5-bromo-1H-pyrrolo[2,3-b]pyridine 
• 757978-18-0 3-iodo-5-bromo-1H-pyrrolo[2,3-b]-pyridine 

Relevant articles and documents

TRICYCLIC COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF

Disclosed herein is a tricyclic compound of Formula (I), or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof, and pharmaceutical compositions comprising thereof. Also disclosed is a method of treating HPK1 related disorders or diseases by using the compound disclosed herein.

PYRROLO[2,3-B]PYRIDINES AS HPK1 INHIBITOR AND USES THEREOF

Disclosed herein is a compound of Formula (I), or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof, and pharmaceutical compositions comprising thereof. Also disclosed is a method of treating HPK1 related disorders or diseases by using the compound disclosed herein.

From Pyrazolones to Azaindoles: Evolution of Active-Site SHP2 Inhibitors Based on Scaffold Hopping and Bioisosteric Replacement

The tyrosine phosphatase SHP2 controls the activity of pivotal signaling pathways, including MAPK, JAK-STAT, and PI3K-Akt. Aberrant SHP2 activity leads to uncontrolled cell proliferation, tumorigenesis, and metastasis. SHP2 signaling was recently linked to drug resistance against cancer medications such as MEK and BRAF inhibitors. In this work, we present the development of a novel class of azaindole SHP2 inhibitors. We applied scaffold hopping and bioisosteric replacement concepts to eliminate unwanted structural motifs and to improve the inhibitor characteristics of the previously reported pyrazolone SHP2 inhibitors. The most potent azaindole 45 inhibits SHP2 with an IC50 = 0.031 μM in an enzymatic assay and with an IC50 = 2.6 μM in human pancreas cells (HPAF-II). Evaluation in a series of cellular assays for metastasis and drug resistance demonstrated efficient SHP2 blockade. Finally, 45 inhibited proliferation of two cancer cell lines that are resistant to cancer drugs and diminished ERK signaling.

COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR

Compounds of Formula I: or a pharmaceutically acceptable salt, a solvate, a tautomer, an isomer or a deuterated analog thereof, wherein R1, R2, Q1, Q2, and Q3, are described in this disclosure, compositions thereof, and methods and uses thereof.