671795-60-1

Basic information

• Product Name: 2-AMINO-5-BROMO-4-CHLOROBENZONITRILE
• Synonyms: 2-AMINO-5-BROMO-4-CHLOROBENZONITRILE
• CAS NO: 671795-60-1
• Molecular Formula: C₇H₄BrClN₂
• Molecular Weight: 231.47706
• Mol File: 671795-60-1.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 324.6±42.0 °C(Predicted)
• Appearance: /
• Density: 1.81±0.1 g/cm3(Predicted)
• PKA: 0.05±0.10(Predicted)
• CAS DataBase Reference: 2-AMINO-5-BROMO-4-CHLOROBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-AMINO-5-BROMO-4-CHLOROBENZONITRILE(671795-60-1)
• EPA Substance Registry System: 2-AMINO-5-BROMO-4-CHLOROBENZONITRILE(671795-60-1)

Safety Data

• Hazardous Substances Data: 671795-60-1(Hazardous Substances Data)

Usage

General Description

2-AMINO-5-BROMO-4-CHLOROBENZONITRILE is a chemical compound with the molecular formula C7H4BrClN2. It is a derivative of benzonitrile and is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It is a white to light brown crystalline powder that is insoluble in water but soluble in organic solvents. 2-AMINO-5-BROMO-4-CHLOROBENZONITRILE is often used as a building block in the production of various drugs and can also be used as an intermediate in the development of other chemical compounds. It is important to handle this chemical with care as it may be harmful if inhaled or swallowed, and can cause irritation to the skin and eyes.

Upstream product

• 38487-86-4 2-amino-4-chlorobenzonitrile 

Downstream Products

• 671795-65-6 5-bromo-2-(2-bromomethyl-2-propenyl)-4-chlorobenzonitrile 
• 1422021-95-1 2-amino-4-chloro-5-propylbenzonitrile 
• 1422021-97-3 2-amino-3-bromo-4-chloro-5-propylbenzonitrile 

Relevant articles and documents

Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3)

T-cell immunoglobulin and mucin domain-containing molecule 3 (TIM-3; HAVCR2) has emerged as an attractive immune checkpoint target for cancer immunotherapy. TIM-3 is a negative regulator of the systemic immune response to cancer and is expressed on several dysfunctional, or exhausted, immune cell subsets. Upregulation of TIM-3 is associated with tumor progression, poor survival rates, and acquired resistance to antibody-based immunotherapies in the clinic. Despite the potential advantages of small-molecule inhibitors over antibodies, the discovery of small-molecule inhibitors has lagged behind that of antibody therapeutics. Here, we describe the discovery of high-affinity small-molecule ligands for TIM-3 through an NMR-based fragment screen and structure-based lead optimization. These compounds represent useful tools to further study the biology of TIM-3 immune modulation in cancer and serve as a potentially useful starting point toward the discovery of TIM-3-targeted therapeutics.

NOVEL ESTROGEN RECEPTOR LIGANDS

Compounds of formula (I) or a pharmaceutically acceptable ester, amide, carbamate or salt thereof, including a salt of such an ester, amide or carbamate in which R1 to R9 have meanings as defined in the Specification, are useful as estrogen receptor ligands.