NQDI 1

Base Information

• Chemical Name: NQDI 1
• CAS No.: 175026-96-7
• Molecular Formula: C19H13NO4
• Molecular Weight: 319.31
• Hs Code.: 2933790090
• Mol file: 175026-96-7.mol

Synonyms:NQDI 1;3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 2,7-dihydro-2,7-dioxo-, ethyl ester;LESINURAD (RDEA-594) intermediate;2,7-Dihydro-2,7-dioxo-3H-naphtho[1,2,3-de]quinoline-1-carboxylic acid ethyl ester;NDQI 1

Chemical Property of NQDI 1

Chemical Property:

• Melting Point: 310 °C (decomp)
• Boiling Point: 581.4±50.0 °C(Predicted)
• PKA: 10.76±0.40(Predicted)
• PSA: 76.49000
• Density: 1.42±0.1 g/cm3(Predicted)
• LogP: 3.32850
• Storage Temp.: 2-8°C
• Solubility.: DMSO: ≥5mg/mL (warmed to 60° C)

Purity/Quality:

97% ^*data from raw suppliers

NQDI-1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Description: Apoptosis signal-regulating kinase 1 (ASK1) is the ubiquitously expressed mitogen-activated protein kinase kinase kinase 5 involved in a wide range of biological functions that are dependent on cell survival or death. NQDI-1 is a specific inhibitor of ASK1 (IC50 = 3 μM; Ki = 500 nM) that demonstrates potent selectivity against various serine/threonine and tyrosine protein kinases. It has been used to promote survival of induced pluripotent stem cell populations and to protect neurons from reactive oxygen species-induced apoptosis in a model of ischemia.
• Uses: NQDI-1 is an ASK1 inhibitor which is of therapeutic potential against acute ischemic renal injury. ?Its protective effects are mediated through inhibition of apoptosis and oxidative stress.

Technology Process of NQDI 1

There total 2 articles about NQDI 1 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

1-amino-9,10-anthracenedione (82-45-1) + diethyl malonate (105-53-3) → NQDI-1 (175026-96-7)

Guidance literature:

With sodium acetate; for 0.5h; Heating;

DOI:10.1021/jm010041l

Reference yield: 91.0%

1-amino-9,10-anthracenedione (82-45-1) + diethyl malonate (105-53-3) → 1-ethyl-anthra<1,9-bc>pyridine-2,7-dione-carboxylate (175026-96-7)

Guidance literature:

With sodium acetate; at 155 - 160 ℃;

DOI:10.1016/j.bmc.2006.01.008

upstream raw materials:

1-amino-9,10-anthracenedione

diethyl malonate