Benzenesulfonamide, 4-(4-(3-cyclopentylpropyl)-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)-N-(4-(2-(((2R)-2-hydroxy-2-(3-pyridinyl)ethyl)amino)ethyl)phenyl)-

Base Information

• Chemical Name: Benzenesulfonamide, 4-(4-(3-cyclopentylpropyl)-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)-N-(4-(2-(((2R)-2-hydroxy-2-(3-pyridinyl)ethyl)amino)ethyl)phenyl)-
• CAS No.: 173901-95-6
• Molecular Formula: C30H37N7O4S
• UNII: 5DZ9YI6UZ5
• Nikkaji Number: J1.097.384H
• Pharos Ligand ID: HL8UVBKTTQQU
• ChEMBL ID: CHEMBL22375
• Mol file: 173901-95-6.mol

Synonyms:L 770,644;L 770644;L-770,644;L-770644

Chemical Property of Benzenesulfonamide, 4-(4-(3-cyclopentylpropyl)-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)-N-(4-(2-(((2R)-2-hydroxy-2-(3-pyridinyl)ethyl)amino)ethyl)phenyl)-

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 14
• Exact Mass: 591.26277386
• Heavy Atom Count: 42
• Complexity: 971

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(C1)CCCN2C(=O)N(N=N2)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)CCNCC(C5=CN=CC=C5)O
• Isomeric SMILES: C1CCC(C1)CCCN2C(=O)N(N=N2)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)CCNC[C@@H](C5=CN=CC=C5)O

Technology Process of Benzenesulfonamide, 4-(4-(3-cyclopentylpropyl)-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)-N-(4-(2-(((2R)-2-hydroxy-2-(3-pyridinyl)ethyl)amino)ethyl)phenyl)-

There total 24 articles about Benzenesulfonamide, 4-(4-(3-cyclopentylpropyl)-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)-N-(4-(2-(((2R)-2-hydroxy-2-(3-pyridinyl)ethyl)amino)ethyl)phenyl)- 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: 82.0%

2-(4-{4-[4-(3-cyclopentyl-propyl)-5-oxo-4,5-dihydro-tetrazol-1-yl]-benzenesulfonylamino}-phenyl)-N-(2-hydroxy-2-pyridin-3-yl-ethyl)-acetamide (202873-16-3) → L 770644 (173901-95-6)

Guidance literature:

With dimethylsulfide borane complex; sulfuric acid; In tetrahydrofuran; at 20 - 50 ℃;

DOI:10.1016/S0040-4039(99)01353-2

Reference yield:

(R)-N-[4-[2-[N-(1,1-Dimethylethoxycarbonyl)-N-[2-Hydroxy-2-(Pyridin-3-Yl)Ethyl]Amino]Ethyl]Phenyl]-4-[4-(3-Cyclopentylpropyl)-5-Tetrazolon-1-Yl]Benzenesulfonamide (190522-06-6) → L 770644 (173901-95-6)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/S0960-894X(99)00182-1

Reference yield:

methyl-3-pyridylketone (350-03-8) → L 770644 (173901-95-6)

Guidance literature:

Multi-step reaction with 9 steps

1: NH₂OH*HCl

2: pyridine

3: 82 percent / EtOK; HCl

4: EDC / tetrahydrofuran; H₂O / pH 5.5

5: HCl / H₂O

6: 75 percent / yeast Candida sorbophilia / 48 h / 28 °C / Microbiological reaction

7: 97 percent / H₂; NH₄OH / Pd/C / methanol / 3 h / 40 °C / 1034.3 Torr

8: 94 percent / NaHCO₃ / ethyl acetate; H₂O

9: 82 percent / BH₃*Me₂S; H₂SO₄ / tetrahydrofuran / 20 - 50 °C

With hydrogenchloride; ammonium hydroxide; dimethylsulfide borane complex; yeast Candida sorbophilia; sulfuric acid; hydroxylamine hydrochloride; potassium ethoxide; hydrogen; sodium hydrogencarbonate; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; palladium on activated charcoal; In tetrahydrofuran; pyridine; methanol; water; ethyl acetate; 1: Condensation / 2: Tosylation / 3: Neber rearrangement / 4: Condensation / 5: Hydrolysis / 6: Reduction / 7: Catalytic hydrogenation / 8: Condensation / 9: Reduction;

DOI:10.1016/S0040-4039(99)01353-2

upstream raw materials:

(R)-N-[4-[2-[N-(1,1-Dimethylethoxycarbonyl)-N-[2-Hydroxy-2-(Pyridin-3-Yl)Ethyl]Amino]Ethyl]Phenyl]-4-[4-(3-Cyclopentylpropyl)-5-Tetrazolon-1-Yl]Benzenesulfonamide

2-(4-{4-[4-(3-cyclopentyl-propyl)-5-oxo-4,5-dihydro-tetrazol-1-yl]-benzenesulfonylamino}-phenyl)-N-(2-hydroxy-2-pyridin-3-yl-ethyl)-acetamide

methyl-3-pyridylketone

(E)-1-(pyridin-3-yl)ethanone oxime