4-Aminopradimicin A

Base Information

Chemical Name:4-Aminopradimicin A
CAS No.:153619-31-9
Molecular Formula:C₄₀H₄₅N₃O₁₈
Molecular Weight:855.807
Hs Code.:
DSSTox Substance ID:DTXSID90165374
Wikidata:Q83034521
Metabolomics Workbench ID:143966

Synonyms:4-Aminopradimicin A;153619-31-9;D-Alanine, N-((4-amino-5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-;DTXSID90165374;(2R)-2-[[(5S,6S)-4-amino-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid;D-Alanine, N-[[4-amino-5-[[4,6-dideoxy-4-(methylamino)-3-O-.beta.-D-xylopyranosyl-.beta.-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-, (5S-trans)-

Suppliers and Price of 4-Aminopradimicin A

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of 4-Aminopradimicin A

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:1116°Cat760mmHg
Flash Point:628.7°C
Density:1.7g/cm³
XLogP3:-2.6
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:9
Exact Mass:855.26981159
Heavy Atom Count:61
Complexity:1640

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C(C(=C(C(=C25)N)C)C(=O)NC(C)C(=O)O)O)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)OC7C(C(C(CO7)O)O)O)NC
Isomeric SMILES:C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C(C(=C(C(=C25)N)C)C(=O)N[C@H](C)C(=O)O)O)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)NC

Technology Process of 4-Aminopradimicin A

There total 2 articles about 4-Aminopradimicin A 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: 58.0%

: 153619-30-8
4-nitro-pradimicin

: 153619-31-9
4-amino-pradimicin A

Guidance literature:: With sodium hydrogensulfide; In methanol; at 80 ℃; for 6h;
DOI:10.7164/antibiotics.46.1447

Reference yield:

: 117704-65-1
pradimicin A -5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo<α>naphthacen-2-yl>carbonyl>-D-alanine>

: 153619-31-9
4-amino-pradimicin A

Guidance literature:: Multi-step reaction with 2 steps

1: 79 percent / nitrosonium tetrafluoroborate / acetonitrile / 0.08 h / Ambient temperature

2: 58 percent / 17percent aq. NaSH / methanol / 6 h / 80 °C

With sodium hydrogensulfide; nitrosonium tetrafluoroborate; In methanol; acetonitrile;
DOI:10.7164/antibiotics.46.1447