310451-86-6

Basic information

• Product Name: 2-(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YLMETHYL)-ISOINDOLE-1,3-DIONE
• Synonyms: TIMTEC-BB SBB001749;1-PHTHALIMIDOMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE;2-(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YLMETHYL)-ISOINDOLE-1,3-DIONE;2-(1,2,3,4-Tetrahydro-1-isoquinolinylmethyl)-1H-isoindole-1,3(2H)-dione;2-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)isoindoline-1,3-dione;2-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)isoindoline-1,3-quinone;BAS 00347355;ChemDiv2_003492
• CAS NO: 310451-86-6
• Molecular Formula: C18H16N2O2
• Molecular Weight: 292.33
• Mol File: 310451-86-6.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 472.4 °C at 760 mmHg
• Flash Point: 239.5 °C
• Appearance: /
• Vapor Pressure: 4.28E-09mmHg at 25°C
• CAS DataBase Reference: 2-(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YLMETHYL)-ISOINDOLE-1,3-DIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YLMETHYL)-ISOINDOLE-1,3-DIONE(310451-86-6)
• EPA Substance Registry System: 2-(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YLMETHYL)-ISOINDOLE-1,3-DIONE(310451-86-6)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 310451-86-6(Hazardous Substances Data)

Usage

General Description

2-(1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl)-isoindole-1,3-dione is a chemical compound with potential pharmaceutical applications. It is a fusion of an isoquinoline moiety and an isoindole-1,3-dione moiety, making it a unique structure with diverse pharmacological properties. The 2-(1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl)-isoindole-1,3-dione may have potential drug-like properties due to its ability to modulate various biological targets, including receptors, enzymes, and transporters. Furthermore, its structural complexity and potential pharmacological properties make it an interesting target for further study in drug discovery and development. Additionally, its unique chemical structure indicates possible bioactivity, which can be leveraged for therapeutic purposes in the treatment of various diseases and conditions.

InChI:InChI=1/C18H16N2O2/c21-17-14-7-3-4-8-15(14)18(22)20(17)11-16-13-6-2-1-5-12(13)9-10-19-16/h1-8,16,19H,9-11H2/p+1/t16-/m0/s1

Upstream product

• 6780-38-7 N-phthaloylglycine chloride 
• 99333-55-8 2-(4(S)-phenyloxazolidin-2-on-3-yl)acetyl chloride 
• 85-44-9 phthalic anhydride 
• 1607007-20-4 (10bS)-5,10b-dihydro-1H-oxazolo[4,3-a]isoquinoline-3,6-dione 
• 123882-32-6 2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetic acid 
• 99333-53-6 ethyl 2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetate 
• 99395-88-7 (S)-4-phenyl-2-oxazolidinone 
• 20989-17-7 (2S)-2-phenylglycinol 
• 1607007-23-7 2-{[(1S)-2-benzyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione 
• 1607007-22-6 (S)-(2-benzyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol 
• 872986-64-6 (S)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol 
• 1607007-21-5 (S)-1,5,6,10b-tetrahydro-3H-oxazolo[4,3-a]isoquinolin-3-one 
• 1432065-36-5 C₁₈H₁₉NO₃ 
• 151004-92-1 (S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid 

Downstream Products

• 1432500-66-7 (1S,2R)-2-[(1S)-1-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-carbonyl]cyclohexane-1-carboxylic acid 
• 1432065-33-2 C₂₆H₂₆N₂O₅ 
• 1432065-34-3 C₂₆H₂₆N₂O₅ 
• 1432065-35-4 C₂₆H₂₆N₂O₅ 
• 908249-20-7 2-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]-2,3-dihydro-1H-isoindole-1,3-dione 
• 1432065-37-6 benzyl-(1S,2R)-2-[(1S)-1-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]cyclohexane-1-carboxylate 
• 60567-63-7 (1,2,3,4-tetrahydroisoquinoline-1-yl)methylamine dihydrochloride 

Relevant articles and documents

Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds

Targeting the protein-protein interaction (PPI) between nuclear factor erythroid 2-related factor 2 (Nrf2) and Kelch-like ECH-associated protein 1 (Keap1) is a potential therapeutic strategy to control diseases involving oxidative stress. Here, six classes of known small-molecule Keap1-Nrf2 PPI inhibitors were dissected into 77 fragments in a fragment-based deconstruction reconstruction (FBDR) study and tested in four orthogonal assays. This gave 17 fragment hits of which six were shown by X-ray crystallography to bind in the Keap1 Kelch binding pocket. Two hits were merged into compound 8 with a 220-380-fold stronger affinity (Ki = 16 μM) relative to the parent fragments. Systematic optimization resulted in several novel analogues with Ki values of 0.04-0.5 μM, binding modes determined by X-ray crystallography, and enhanced microsomal stability. This demonstrates how FBDR can be used to find new fragment hits, elucidate important ligand-protein interactions, and identify new potent inhibitors of the Keap1-Nrf2 PPI.

Tetrazanbigen Derivatives as Peroxisome Proliferator-Activated Receptor Gamma (PPARγ) Partial Agonists: Design, Synthesis, Structure-Activity Relationship, and Anticancer Activities

Tetrazanbigen (TNBG) is a novel sterol isoquinoline derivative with poor water solubility and moderate inhibitory effects on human cancer cell lines via lipoapoptosis induction. Herein, we developed a series of novel TNBG analogues with improved water sol

HETEROCYCLIC COMPOUNDS AND USE THEREOF

Disclosed are compounds of formula (I) below or pharmaceutically acceptable salts thereof:in which each of variables R 1 -R 6 , L, m, and n is defined herein. Also disclosed are a method for treating an opioid receptor-associated condition with a compound