NCT-501

Base Information

• Chemical Name: NCT-501
• CAS No.: 1802088-50-1
• Molecular Formula: C21H32N6O3
• Molecular Weight: 416.52
• Mol file: 1802088-50-1.mol

Synonyms:NCT-501

Chemical Property of NCT-501

Chemical Property:

• Boiling Point: 627.3±65.0 °C(Predicted)
• PKA: 5.26±0.10(Predicted)
• PSA: 85.37000
• Density: 1.37±0.1 g/cm3(Predicted)
• LogP: 0.40980
• Solubility.: ≥20.85 mg/mL in DMSO with gentle warming; insoluble in H2O; ≥11 mg/mL in EtOH

Purity/Quality:

99%, ^*data from raw suppliers

NCT-501 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Description: NCT-501 is a potent, reversible, theophylline-based inhibitor of ALDH1A1 (IC50 = 40 nM for the human form). It is selective for ALDH1A1 over other ALDH isozymes as well as other dehydrogenases. Pharmacokinetic studies indicate that NCT-501 has high bioavailability when delivered intraperitoneally, with rapid phase I modification in the liver.

Technology Process of NCT-501

There total 5 articles about NCT-501 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: 86.0%

7-isopentyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbaldehyde + 1-(cyclopropylcarbonyl)piperazine (59878-57-8) → 8-((4-(cyclopropanecarbonyl)piperazin-1-yl)methyl)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (1802088-50-1)

Guidance literature:

With sodium tris(acetoxy)borohydride; triethylamine; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1021/acs.jmedchem.5b00577

Reference yield: 86.0%

cyclopropyl (piperazin-1-yl)methanone hydrochloride (1021298-67-8) + 7-isopentyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbaldehyde → 8-((4-(cyclopropanecarbonyl)piperazin-1-yl)methyl)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (1802088-50-1)

Guidance literature:

cyclopropyl (piperazin-1-yl)methanone hydrochloride; 7-isopentyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbaldehyde; With triethylamine; In dichloromethane; at 20 ℃;

With sodium tris(acetoxy)borohydride; In dichloromethane; at 20 ℃; for 4h;

Reference yield:

8-(hydroxymethyl)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione → 8-((4-(cyclopropanecarbonyl)piperazin-1-yl)methyl)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (1802088-50-1)

Guidance literature:

Multi-step reaction with 2 steps

1: Dess-Martin periodane / dichloromethane / 2 h / 20 °C

2: sodium tris(acetoxy)borohydride; triethylamine / dichloromethane / 4 h / 20 °C

With sodium tris(acetoxy)borohydride; Dess-Martin periodane; triethylamine; In dichloromethane;

DOI:10.1021/acs.jmedchem.5b00577

upstream raw materials:

1-(cyclopropylcarbonyl)piperazine

4,5-Diamino-1,3-dimethyluracil

8-hydroxymethyltheophylline

cyclopropyl (piperazin-1-yl)methanone hydrochloride

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 1802088-50-1 NCT-501

Send

Send

Metric Ton KG G Pound L ML

Send

Send