Pharmakon1600-01505249

Base Information

• Chemical Name: Pharmakon1600-01505249
• CAS No.: 37321-09-8
• Molecular Formula: C21H41N5O11
• Molecular Weight: 539.583
• NSC Number: 758938
• ChEMBL ID: CHEMBL492574
• Mol file: 37321-09-8.mol

Synonyms:SR-05000001656;NSC-758938;Spectrum2_000834;Spectrum3_001077;Spectrum4_001226;Spectrum5_001661;BSPBio_002694;KBioGR_001692;SPECTRUM1505249;SPBio_000787;CHEMBL492574;KBio3_001914;HMS1922P03;HMS2093M20;Pharmakon1600-01505249;CCG-40293;NSC758938;NCGC00178526-01;NCGC00178526-03;SBI-0206732.P001;AB01563306_01;SR-05000001656-1;SR-05000001656-2;SR-05000001656-3

Chemical Property of Pharmakon1600-01505249

Chemical Property:

• Vapor Pressure: 2.11E-31mmHg at 25°C
• Refractive Index: 1.657
• Boiling Point: 823.0±65.0 °C at 760 mmHg
• PKA: 12.91±0.70(Predicted)
• Flash Point: 451.6±34.3 °C
• PSA: 283.64000
• Density: 1.6±0.1 g/cm³
• LogP: -3.75720
• XLogP3: -7
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 6
• Exact Mass: 539.28025714
• Heavy Atom Count: 37
• Complexity: 760

Purity/Quality:

99% ^*data from raw suppliers

Apramycin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1C(C2C(CC(C(O2)OC3C(CC(C(C3O)O)N)N)N)OC1OC4C(C(C(C(O4)CO)N)O)O)O
• Isomeric SMILES: CN[C@H]1[C@H]([C@@H]2[C@H](C[C@H]([C@@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O[C@@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O
• Uses: Antibacterial. Apramycin is used in treatment and prevention of nephrotoxin-induced kidney injuries.

Technology Process of Pharmakon1600-01505249

There total 3 articles about Pharmakon1600-01505249 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: 74.0%

C74H81N7O19 → apramycin (37321-09-8,41194-16-5)

Guidance literature:

With hydrogen; palladium; In 1,4-dioxane; water; acetic acid; for 2h; under 2206.5 Torr; Ambient temperature;

DOI:10.1246/bcsj.57.529

Reference yield: 48.0%

→ 5,3-diepiapramycin (37321-09-8,41194-16-5)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; for 2h;

With hydrogen; palladium; acetic acid; In 1,4-dioxane; water; at 20 ℃; for 10h;

With potassium hydroxide; In water; at 110 ℃; for 0.5h;

Reference yield:

→ apramycin (37321-09-8,41194-16-5)

Guidance literature:

Downstream raw materials:

3,2'-bis-N-[(2S)-4-(benzyloxycarbonylamino)-2-hydroxybutyryl]apramycin

1,3,2',7',4-pentakis-N-(benzyloxycarbonyl)apramycin

C₄₆H₈₀N₈O₂₀

C₅₇H₁₀₀N₈O₂₄

Refernces

• 1、 -. "Methods and compositions for targeting DNA metabolic processes using aminoglycoside derivatives". . . Retrieved 2008/06/13.