MPI_5a

Base Information

• Chemical Name: MPI_5a
• CAS No.: 1259296-46-2
• Molecular Formula: C₁₆H₁₇N₃O₃
• Molecular Weight: 299.329
• Mol file: 1259296-46-2.mol

Synonyms:

Chemical Property of MPI_5a

Chemical Property:

• PKA: 8.92±0.23(Predicted)
• Density: 1.34±0.1 g/cm3(Predicted)

Purity/Quality:

99%, ^*data from raw suppliers

1,2,3,4-Tetrahydro-N-hydroxy-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-6-isoquinolinecarboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: HDAC6 Inhibitor is a potent and selective inhibitor of HDAC6 that poorly blocks other HDAC enzymes. HDAC6 is a predominantly cytoplasmic enzyme that targets α-tubulin, cortactin, and heat shock protein 90, as well as other substrates.

Technology Process of MPI_5a

There total 3 articles about MPI_5a 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 2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxylate (1259297-96-5) → N-hydroxy-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (1259296-46-2)

Guidance literature:

With hydroxylamine hydrochloride; potassium hydroxide; In methanol; 1,2-dichloro-ethane; at 70 ℃; for 4h;

DOI:10.1021/jm400385r

Reference yield:

1-Methyl-2-pyrrolecarboxylic acid (6973-60-0) → N-hydroxy-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (1259296-46-2)

Guidance literature:

Multi-step reaction with 2 steps

1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; 4-methyl-morpholine / 1,2-dichloro-ethane / 16 h / 20 °C

2: hydroxylamine hydrochloride; potassium hydroxide / methanol; 1,2-dichloro-ethane / 4 h / 70 °C

With 4-methyl-morpholine; hydroxylamine hydrochloride; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; potassium hydroxide; In methanol; 1,2-dichloro-ethane;

DOI:10.1021/jm400385r

Reference yield:

1-Methyl-2-pyrrolecarboxylic acid (6973-60-0) + methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate hydrochloride (877861-62-6) → N-hydroxy-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (1259296-46-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 4-methyl-morpholine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / 1,2-dichloro-ethane / 0.08 h

1.2: 20 °C

2.1: hydroxylamine hydrochloride; potassium hydroxide / methanol / 2 h / 80 °C

With 4-methyl-morpholine; hydroxylamine hydrochloride; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; potassium hydroxide; In methanol; 1,2-dichloro-ethane;

upstream raw materials:

methyl 2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxylate

1-Methyl-2-pyrrolecarboxylic acid

methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate hydrochloride

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