60547-92-4

Basic information

• Product Name: 4-BENZYLOXY-5-METHOXY-2-NITRO-BENZOIC ACID
• Synonyms: 4-BENZYLOXY-5-METHOXY-2-NITRO-BENZOIC ACID;2-Nitro-4-(benzyloxy)-5-methoxybenzoic acid;2-(Benzyloxy)-5-carboxy-4-nitroansole;5-Methoxy-2-nitro-4-(phenylMethyloxy)benzoic acid;2-(Benzyloxy)-5-carboxy-4-nitroansole, 5-(Benzyloxy)-2-carboxy-4-methoxynitrobenzene;Benzoic acid, 5-Methoxy-2-nitro-4-(phenylMethoxy)-;4-Benzyloxy-3-Methoxy-6-nitrobenzoic acid
• CAS NO: 60547-92-4
• Molecular Formula: C₁₅H₁₃NO₆
• Molecular Weight: 303.27
• Product Categories: pharmacetical
• Mol File: 60547-92-4.mol
• Article Data: 36

Chemical Properties

• Melting Point: 192 °C
• Boiling Point: 504.425 °C at 760 mmHg
• Flash Point: 258.867 °C
• Appearance: /
• Density: 1.363 g/cm³
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 2.34±0.25(Predicted)
• CAS DataBase Reference: 4-BENZYLOXY-5-METHOXY-2-NITRO-BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BENZYLOXY-5-METHOXY-2-NITRO-BENZOIC ACID(60547-92-4)
• EPA Substance Registry System: 4-BENZYLOXY-5-METHOXY-2-NITRO-BENZOIC ACID(60547-92-4)

Safety Data

• Hazardous Substances Data: 60547-92-4(Hazardous Substances Data)

Usage

Uses

4-?(Benzyloxy)?-?5-?methoxy-?2-?nitrobenzoic Acid is a reagent used in the preparation of benzodiazepine-based β-glucoside prodrugs for use in cancer chemotherapy.

Upstream product

• 2426-84-8 4-(benzyloxy)-5-methoxy-2-nitrobenzaldehyde 
• 1486-53-9 4-(benzyloxy)-3-methoxybenzoic acid 
• 61032-41-5 methyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate 
• 3943-74-6 4-hydroxy-3-methoxybenzoic acid methyl ester 
• 56441-97-5 methyl 4-(benzyloxy)-3-methoxybenzoate 
• 100-39-0 benzyl bromide 
• 121-34-6 3-methoxy-4-hydroxybenzoic acid 
• 100-44-7 benzyl chloride 
• 2426-87-1 3-methoxy-4-(phenylmethoxy)benzaldehyde 
• 121-33-5 vanillin 
• 91203-74-6 4-benzyloxy-3-methoxybenzoic acid benzyl ester 

Downstream Products

• 382137-65-7 methyl-(2S,4R)-N-[4-benzyloxy-5-methoxy-2-nitrobenzoyl]-4-hydroxypyrrolidine-2-carboxylate 
• 176387-50-1 (S)-1-(4-Benzyloxy-5-methoxy-2-nitro-thiobenzoyl)-pyrrolidine-2-carbothioaldehyde 
• 945490-07-3 1-(4-benzyloxy-5-methoxy-2-nitrobenzoyl)-(2S)-4-methylenepyrrolidine-2-carboxylic acid methyl ester 
• 945490-08-4 (S)-1-(4-(benzyloxy)-5-methoxy-2-nitrobenzoyl)-4-methylenepyrrolidine-2-carbaldehyde 
• 260546-06-3 (11aS)-8-benzyloxy-7-methoxy-2-methylidene-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one 
• 476015-20-0 (2S)-N-{4-[methyl-(2S)-N-(5-methoxy-2-nitrobenzoyl)pyrrolidine-2-carboxylate-4-yloxy]octyloxy-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal 
• 476015-21-1 (2S)-N-{4-[3-(7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c]-[1,4]benzodiazepine-5,11-dione-8-yloxy)octyloxy]-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal 
• 476015-22-2 (2S)-N-{4-[3-(7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c]-[1,4]benzodiazepine-5,11-dione-8-yloxy)octyloxy]-5-methoxy-2-aminobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal 
• 405108-18-1 (2S)-N-{4-[3-(7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c]-[1,4]benzodiazepine-5,11-dione-8-yloxy)pentyloxy]-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal 
• 405108-17-0 (2S)-N-{4-[3-(7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c]-[1,4]benzodiazepine-5,11-dione-8-yloxy)butoxy]-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carboxaldehyde diethyl thioacetal 
• 762245-26-1 (S)-2-(4-benzyloxy-5-methoxy-2-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester 
• 762245-27-2 (S)-(4-(benzyloxy)-5-methoxy-2-nitrophenyl)(3-(hydroxymethyl)-3,4- dihydroisoquinolin-2(1H)-yl)methanone 

Relevant articles and documents

NOVEL CONNECTED BODY AND USE THEREOF IN SPECIFIC CONJUGATION BETWEEN BIOMOLECULE AND DRUG

PROBLEM TO BE SOLVED: To provide: a method for producing a connected body; a method for using the connected body in the production of a uniform conjugate; and a method for applying the conjugate in the treatment of cancer, infectious diseases, and autoimmune diseases. SOLUTION: A novel connected body is provided that includes a 2,3-di-substituted succinic acid group or a 2-mono-substituted or 2,3-di-substituted fumaric acid or maleic acid (trans (E)- or cis (Z)-butenedioic acid) group for conjugating 2 or more compounds/cytotoxic agents per connected body with a cell-binding molecule by specifically bridge-linking to a pair of thiol on the cell-binding molecule. The connected body is exemplified by the following general formula. SELECTED DRAWING: None COPYRIGHT: (C)2021,JPOandINPIT

COMPOSITIONS AND METHODS RELATED TO MOLECULAR CONJUGATION

The invention relates to activated Michael acceptor (AMA) compounds that can undergo conjugation with biomolecules containing Michael donor moieties, thereby providing plasma-stable antibody-drug conjugates (ADCs). Pharmaceutical compositions of the ADCs are disclosed as well. Also provided herein are a number of applications (e.g., therapeutic applications) in which the compositions are useful.

CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES

A novel cross-linked cytotoxic agents, pyrrolobenzo-diazepine dimer (PBD) derivatives, and their conjugates to a cell-binding molecule, a method for preparation of the conjugates and the therapeutic use of the conjugates.