G007-LK

Base Information

• Chemical Name: G007-LK
• CAS No.: 1380672-07-0
• Molecular Formula: C25H16ClN7O3S
• Molecular Weight: 529.966
• Mol file: 1380672-07-0.mol

Synonyms:G007-LK;(E)-4-(5-(2-(4-(2-chlorophenyl)-5-(5-(methylsulfonyl)pyridin-2-yl)-4H-1,2,4-triazol-3-yl)vinyl)-1,3,4-oxadiazol-2-yl)benzonitrile;4-[5-[(1E)-2-[4-(2-Chlorophenyl)-5-[5-(methylsulfonyl)-2-pyridinyl]-4H-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]benzonitrile

Chemical Property of G007-LK

Chemical Property:

• Boiling Point: 817.3±75.0 °C(Predicted)
• PKA: -1.68±0.10(Predicted)
• PSA: 148.83000
• Density: 1.47±0.1 g/cm3(Predicted)
• LogP: 5.55908
• Storage Temp.: +2C to +8C
• Solubility.: ≥26.5 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH

Purity/Quality:

97% ^*data from raw suppliers

Tankyrase 1/2 Inhibitor VI, G007-LK - Calbiochem ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of G007-LK

There total 11 articles about G007-LK 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:

methyl 5-bromopicolinate (29682-15-3) → G007-LK (1380672-07-0)

Guidance literature:

Multi-step reaction with 8 steps

1.1: tetrahydrofuran / Reflux

2.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 20 °C

3.1: trimethylaluminum / toluene / 2 h / 80 - 90 °C

4.1: phosphorus pentachloride / benzene / Reflux

5.1: hydrazine hydrate / tetrahydrofuran / 0.67 h / 0 - 20 °C

6.1: toluene / 4 h / 20 °C / Reflux

7.1: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 3 h / 20 °C

7.2: 1.5 h / -20 - 20 °C

8.1: carbon tetrabromide; triethylamine; triphenylphosphine / dichloromethane / 2 h / 20 °C

With oxalyl dichloride; carbon tetrabromide; phosphorus pentachloride; trimethylaluminum; hydrazine hydrate; triethylamine; 3-chloro-benzenecarboperoxoic acid; triphenylphosphine; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane; toluene; benzene;

Reference yield:

5-bromoisonicotinic acid (30766-11-1) → G007-LK (1380672-07-0)

Guidance literature:

Multi-step reaction with 9 steps

1.1: thionyl chloride / 3 h / 20 °C / Reflux

1.2: pH 7

2.1: tetrahydrofuran / Reflux

3.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 20 °C

4.1: trimethylaluminum / toluene / 2 h / 80 - 90 °C

5.1: phosphorus pentachloride / benzene / Reflux

6.1: hydrazine hydrate / tetrahydrofuran / 0.67 h / 0 - 20 °C

7.1: toluene / 4 h / 20 °C / Reflux

8.1: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 3 h / 20 °C

8.2: 1.5 h / -20 - 20 °C

9.1: carbon tetrabromide; triethylamine; triphenylphosphine / dichloromethane / 2 h / 20 °C

With thionyl chloride; oxalyl dichloride; carbon tetrabromide; phosphorus pentachloride; trimethylaluminum; hydrazine hydrate; triethylamine; 3-chloro-benzenecarboperoxoic acid; triphenylphosphine; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane; toluene; benzene;

Reference yield:

methyl 5-methanesulfonylpyridine-2-carboxylate (1201326-81-9) → G007-LK (1380672-07-0)

Guidance literature:

Multi-step reaction with 6 steps

1.1: trimethylaluminum / toluene / 2 h / 80 - 90 °C

2.1: phosphorus pentachloride / benzene / Reflux

3.1: hydrazine hydrate / tetrahydrofuran / 0.67 h / 0 - 20 °C

4.1: toluene / 4 h / 20 °C / Reflux

5.1: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 3 h / 20 °C

5.2: 1.5 h / -20 - 20 °C

6.1: carbon tetrabromide; triethylamine; triphenylphosphine / dichloromethane / 2 h / 20 °C

With oxalyl dichloride; carbon tetrabromide; phosphorus pentachloride; trimethylaluminum; hydrazine hydrate; triethylamine; triphenylphosphine; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane; toluene; benzene;

upstream raw materials:

5-bromoisonicotinic acid

4-cyanobenzohydrazide

methyl 5-bromopicolinate

4-cyanobenzoic acid methyl ester