51163-28-1

Basic information

• Product Name: 4-CHLORO-2-FLUOROPHENYL ISOCYANATE 97
• Synonyms: 4-CHLORO-2-FLUOROPHENYL ISOCYANATE 97;1-Chloro-2-fluoro-4-isocyanato-benzene;4-Chloro-2-fluorophenyl isocyanate 97%
• CAS NO: 51163-28-1
• Molecular Formula: C₇H₃ClFNO
• Molecular Weight: 171.558
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks;Aryl Fluorinated Building Blocks;Building Blocks;C7;Chemical Synthesis;Fluorinated Building Blocks;Nitrogen Compounds;Organic Building Blocks;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks
• Mol File: 51163-28-1.mol

Chemical Properties

• Boiling Point: 201-202 °C(lit.)
• Flash Point: 185 °F
• Appearance: /
• Density: 1.354 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.215mmHg at 25°C
• Refractive Index: n20/D 1.5400(lit.)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 4-CHLORO-2-FLUOROPHENYL ISOCYANATE 97(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CHLORO-2-FLUOROPHENYL ISOCYANATE 97(51163-28-1)
• EPA Substance Registry System: 4-CHLORO-2-FLUOROPHENYL ISOCYANATE 97(51163-28-1)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-42
• Safety Statements: 23-26-45
• WGK Germany: 3
• Hazardous Substances Data: 51163-28-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H3ClFNO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H

Upstream product

• 32315-10-9 bis(trichloromethyl) carbonate 
• 367-22-6 4-chloro-3-fluoroaniline 

Downstream Products

• 1176233-71-8 C₁₈H₂₃ClFN₅O₃ 
• 1598382-74-1 (4-chloro-3-fluoro-phenyl)-carbamic acid (S)-2,2,2-trifluoro-1-[(R)-2-(3-trifluoromethyl-phenyl)-morpholin-4-ylmethyl]-ethyl ester 
• 1598382-33-2 (4-chloro-3-fluorophenyl)-carbamic acid (S)-2,2,2-trifluoro-1-[(R)-2-(6-trifluoromethyl-pyridin-3-yl)-morpholin-4-ylmethyl]-ethyl ester 

Relevant articles and documents

CHEMICAL COMPOUNDS

The invention is directed to substituted carbon-linked bicycloalkane derivatives. Specifically, the invention is directed to compounds according to Formula (X): (X) wherein C', D', L2', L3', R1', R2', R3', R4', R5', R6', R7', R8', z1', z2', z3', z4', z5', z6', X1, and X2 are as defined herein; or a salt thereof including a pharmaceutically acceptable salt thereof. The compounds of the invention are inhibitors of the ATF4 pathway and can be useful in the treatment of cancer, pre-cancerous syndromes and diseases associated with activated unfolded protein response pathways, such as Alzheimer's disease, spinal cord injury, traumatic brain injury, ischemic stroke, stroke, diabetes, Parkinson disease, Huntington's disease, Creutzfeldt-Jakob Disease, and related prion diseases, progressive supranuclear palsy, amyotrophic lateral sclerosis, myocardial infarction, cardiovascular disease, inflammation, fibrosis, chronic and acute diseases of the liver, chronic and acute diseases of the lung, chronic and acute diseases of the kidney, chronic traumatic encephalopathy (CTE), neurodegeneration, dementia, cognitive impairment, atherosclerosis, ocular diseases, neurological disorders, pain, arrhythmias, in organ transplantation and in the transportation of organs for transplantation. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting the ATF4 pathway and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

Discovery of SP-96, the first non-ATP-competitive Aurora Kinase B inhibitor, for reduced myelosuppression

Aurora Kinase B is a serine-threonine kinase known to be overexpressed in several cancers, with no inhibitors approved for clinical use. Herein, we present the discovery and optimization of a series of novel quinazoline-based Aurora Kinase B inhibitors. The lead inhibitor SP-96 shows sub-nanomolar potency in Aurora B enzymatic assays (IC50 = 0.316 ± 0.031 nM). We identified the important pharmacophore features resulting in selectivity against receptor tyrosine kinases. Particularly, SP-96 shows >2000 fold selectivity against FLT3 and KIT which is important for normal hematopoiesis. This could diminish the adverse effect of neutropenia reported in the clinical trials of the Aurora B inhibitor Barasertib, which inhibits FLT3 and KIT in addition to Aurora B. Enzyme kinetics of SP-96 shows non-ATP-competitive inhibition which makes it a first-in-class inhibitor. Further, SP-96 shows selective growth inhibition in NCI60 screening, including inhibition of MDA-MD-468, a Triple Negative Breast Cancer cell line.

SUBSTITUTED CARBAMATE COMPOUNDS AND THEIR USE AS TRANSIENT RECEPTOR POTENTIAL (TRP) CHANNEL ANTAGONISTS

The invention is concerned with the compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein Y, R1 and R3 are defined in the detailed description and claims. In addition, the present invention relates to methods of manufacturing and using the compounds of formula (I) as well as pharmaceutical compositions containing such compounds. The compounds of formula (I) are antagonists of the TRPA1 channel and may be useful in treating inflammatory diseases and disorders associated with that channel.

SUBSTITUTED PHENYLCARBAMATE COMPOUNDS

The invention is concerned with the compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein Y, R1, R2 and R3 are defined in the detailed description and claims. In addition, the present invention relates to methods of manufacturing and using the compounds of formula (I) as well as pharmaceutical compositions containing such compounds. The compounds of formula (I) are antagonists of the TRPA1 channel and may be useful in treating inflammatory diseases and disorders associated with that channel.