ML 18

Base Information

• Chemical Name: ML 18
• CAS No.: 1422269-30-4
• Molecular Formula: C₃₂H₃₅N₅O₅
• Molecular Weight: 569.66

Synonyms:(S)-3-(1H-indol-3-yl)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-[(4-nitrophenyl)carbamoylamino]propanamide

Chemical Property of ML 18

Chemical Property:

• Boiling Point: 821.8±65.0 °C(Predicted)
• PKA: 11.99±0.46(Predicted)
• Density: 1.291±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C

Purity/Quality:

95% ^*data from raw suppliers

ML18 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Description: ML-18 is a non-peptide bombesin receptor subtype 3 (BB3) antagonist that inhibits [125I]BA1 binding to NCI-H1299 lung cancer cells transfected with human BB3 receptors (IC50 = 4.8 μM). It is selective for BB3 over the gastrin releasing peptide receptor (GRPR) and the neuromedin B receptor (NMBR) with IC50 values of 16 and >100 μM, respectively, in a radioligand binding assay. ML-18 (16 μM) reversibly inhibits BA1-induced increases in cytosolic calcium in NCI-H1299 cells. It also inhibits BA1-induced phosphorylation of ERK and EGFR and reduces proliferation of NCI-H1299 cells.
• Uses: ML-18 is a non-peptide bombesin receptor subtype-3 antagonist. It also inhibits lung cancer growth.

Technology Process of ML 18

There total 5 articles about ML 18 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: 10.0%

(S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)cyclohexylmethyl]propanamide + 4-Nitrophenyl isocyanate (100-28-7) → (S)-3-(1H-indol-3-yl)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-[(4-nitrophenyl)carbamoylamino]propanamide (1422269-30-4)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 15h;

DOI:10.1016/j.bmc.2016.10.031

Reference yield:

1-aminomethyl-1-(4-methoxyphenyl)cyclohexane (36970-20-4) → (S)-3-(1H-indol-3-yl)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-[(4-nitrophenyl)carbamoylamino]propanamide (1422269-30-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 1,1'-carbonyldiimidazole / tetrahydrofuran / 8 h / 20 °C / Inert atmosphere

1.2: 24 h / 20 °C / Inert atmosphere

2.1: trifluoroacetic acid / dichloromethane / 5 h / 20 °C

3.1: tetrahydrofuran / 15 h / 20 °C

With 1,1'-carbonyldiimidazole; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmc.2016.10.031

Reference yield:

Boc-Trp-OH (13139-14-5) → (S)-3-(1H-indol-3-yl)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-[(4-nitrophenyl)carbamoylamino]propanamide (1422269-30-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 1,1'-carbonyldiimidazole / tetrahydrofuran / 8 h / 20 °C / Inert atmosphere

1.2: 24 h / 20 °C / Inert atmosphere

2.1: trifluoroacetic acid / dichloromethane / 5 h / 20 °C

3.1: tetrahydrofuran / 15 h / 20 °C

With 1,1'-carbonyldiimidazole; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmc.2016.10.031

upstream raw materials:

1-aminomethyl-1-(4-methoxyphenyl)cyclohexane

4-Nitrophenyl isocyanate

Boc-Trp-OH

4-nitro-aniline

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