56741-34-5

Basic information

• Product Name: METHYL 5-AMINO-2-FLUOROBENZOATE
• Synonyms: METHYL 5-AMINO-2-FLUOROBENZOATE;Methyl 5-amino-2-fluorobenzenecarboxylate
• CAS NO: 56741-34-5
• Molecular Formula: C₈H₈FNO₂
• Molecular Weight: 169.1530232
• Mol File: 56741-34-5.mol
• Article Data: 11

Chemical Properties

• Melting Point: 84-86°C
• Boiling Point: 302.319 °C at 760 mmHg
• Flash Point: 136.638 °C
• Appearance: /
• Density: 1.264 g/cm³
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.544
• Storage Temp.: 2-8°C(protect from light)
• PKA: 3.51±0.10(Predicted)
• CAS DataBase Reference: METHYL 5-AMINO-2-FLUOROBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 5-AMINO-2-FLUOROBENZOATE(56741-34-5)
• EPA Substance Registry System: METHYL 5-AMINO-2-FLUOROBENZOATE(56741-34-5)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 56741-34-5(Hazardous Substances Data)

Usage

General Description

Methyl 5-amino-2-fluorobenzoate is a chemical compound known for its applications mainly in the pharmaceutical industry. It is an integral compound in the production of many medicinal drugs due to its structure and properties. Its physical characteristics include a liquid or crystalline, white solid appearance. Its molecular formula is C8H8FNO2, demonstrating that it is composed of carbon, hydrogen, fluorine, nitrogen, and oxygen atoms. This chemical exhibits a molar mass of approximately 185.15 grams per mole. Safety measures should be employed while handling this compound as it may cause eye, skin, and respiratory irritation. However, it is generally considered stable under ordinary conditions.

InChI:InChI=1/C8H8FNO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,10H2,1H3

Upstream product

• 125568-75-4 methyl 3-azido-6-fluorobenzoate 
• 108-88-3 toluene 
• 56741-33-4 5-amino-2-fluorobenzoic acid 
• 18107-18-1 diazomethyl-trimethyl-silane 
• 2965-22-2 methyl 2-fluoro-5-nitro-benzoate 
• 445-29-4 o-fluoro-benzoic acid 
• 7304-32-7 2-fluoro-5-nitrobenzoic acid 
• 109-89-7 diethylamine 

Downstream Products

• 84832-00-8 (5-amino-2-fluoro-phenyl)-methanol 
• 125568-75-4 methyl 3-azido-6-fluorobenzoate 
• 125568-81-2 methyl N-benzyl-3-amino-6-fluorobenzoate 
• 185808-81-5 methyl 2-bromo-3-(3-methoxycarbonyl-4-fluorophenyl)propionate 
• 625471-27-4 methyl 2-fluoro-5-iodo-benzoate 
• 843676-57-3 methyl 5-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2-fluorobenzoate 
• 269070-10-2 5-{[5-(2-Adamantan-1-yl-ethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]-amino}-2-fluoro-benzoic Acid 
• 209222-25-3 1-[1-(2-toluoylmethyl)-2-oxo-5-pivaloyl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]-3-(3-methoxycarbonyl-4-fluorophenyl)urea 
• 1160624-41-8 methyl 5-(((2,6-difluorophenyl)carbonyl)amino)-2-fluorobenzoate 
• 1240496-10-9 C₂₁H₁₈BFN₂O₅S 
• 1240495-79-7 C₂₀H₁₆BFN₂O₅S 
• 4031-84-9 methyl 5-amino-2-(4-morpholino)benzoate 
• 782493-46-3 5-piperidin-4-yl-1,2-benzisoxazol-3-yl 4-methylbenzenesulfonate hydrochloride 

Relevant articles and documents

From off-to on-target: New BRAF-inhibitor-template-derived compounds selectively targeting mitogen activated protein kinase kinase 4 (MKK4)

The mitogen-activated protein kinase (MAP) kinase 4 (MKK4) was found to be a major regulator of liver regeneration and could be a valuable drug target addressing liver related diseases by restoring its intrinsic regenerative capacity. We report on the synthesis and optimization of novel MKK4 inhibitors following a target-hopping strategy from the FDA-approved BRAFV600E inhibitor PLX4032 (8). Applying an iterative multi-parameter optimization process we carved out essential structural features yielding in compounds with a low nanomolar affinity for MKK4 and excellent selectivity profiles against the main off-targets MKK7 and JNK1, which, upon relevant inhibition, would totally abrogate the pro-regenerative effect of MKK4 inhibition, as well as against the off-targets MAP4K5, ZAK and BRAF with selectivity factors ranging from 40 to 430 for our best-balanced compounds 70 and 73.

PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH

The invention relates to MKK4 (mitogen-activated protein kinase 4) and their use in promoting liver regeneration or reducing or preventing hepatocyte death. The MKK4 inhibitors selectively inhibit protein kinase MKK4 over protein kinases JNK and MKK7.

STEROIDAL [3, 2-C] PYRAZOLE COMPOUNDS, WITH GLUCOCORTICOID ACTIVITY

The present invention provides compounds of formula (I) wherein n, p, R1, R2, X1, X2, X3, X4, X5, R3a, R3b, R4, R5 and R6 are as defined in the specification, a process for their preparation, pharmaceutical compositions containing them and their use in therapy.