3-Aminorifamycin S

Base Information

Chemical Name:3-Aminorifamycin S
CAS No.:51756-80-0
Molecular Formula:C37H46N2O12
Molecular Weight:710.77
Hs Code.:
European Community (EC) Number:610-723-9
UNII:KIR7I7GQB6
Metabolomics Workbench ID:95463
Nikkaji Number:J2.155.065E
Wikidata:Q105256082

Synonyms:3-Aminorifamycin S;51756-80-0;3-amino-rifamycin S;KIR7I7GQB6;UNII-KIR7I7GQB6;3-Aminorifamycin S [EP];Rifabutin impurity B [EP];[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-amino-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate;3-Amino-1,4-dideoxy-1,4-dihydro-1,4-dioxorifamycin;Rifamycin, 3-amino-1,4-dideoxy-1,4-dihydro-1,4-dioxo-;3-amino rifamycin S;SCHEMBL14471362;CHEBI:216347;SMPJCQGFZSDIHE-GVDHMVJUSA-N;3-Aminorifamycin S (Technical Grade);3-AMINORIFAMYCIN S [EP IMPURITY];RIFABUTIN IMPURITY B [EP IMPURITY]

Suppliers and Price of 3-Aminorifamycin S

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
Packaging
price

TRC
3-AminorifamycinS(TechnicalGrade)
2.5mg
$ 850.00

Total 17 raw suppliers

Chemical Property of 3-Aminorifamycin S

Chemical Property:

Vapor Pressure:0Pa at 20℃
PSA：221.01000
Density:1.25[at 20℃]
LogP:3.94580
Storage Temp.:Amber Vial, Hygroscopic, -20°C Freezer, Under inert atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
Water Solubility.:192mg/L at 20℃
XLogP3:3.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:3
Exact Mass:710.30507491
Heavy Atom Count:51
Complexity:1530

Purity/Quality:

99.9% ^*data from raw suppliers

3-AminorifamycinS(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C=CC=C(C(=O)NC2=C(C(=O)C3=C(C2=O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)N)C
Isomeric SMILES:C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=O)C3=C(C2=O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)N)/C
Uses 3-Aminorifamycin S is a derivative of the antibiotic Rifamycin (R508200(P)).

Technology Process of 3-Aminorifamycin S

There total 3 articles about 3-Aminorifamycin S 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:

: 62623-68-1,76188-88-0,81203-58-9,101978-28-3,13553-79-2
rifamycin S

: 51756-80-0
3-Aminorifamycin S

Guidance literature:: Multistep reaction; (i) NH3, dioxane, (ii) K3, aq. NaHCO3, CHCl3, MeOH;
DOI:10.1002/hlca.19730560720

Reference yield:

: 6998-60-3
rifamycin SV

: 51756-80-0
3-Aminorifamycin S

Guidance literature:: Multi-step reaction with 2 steps

1: K₃Fe(CN)6 / pyridine

2: NH₃ / dioxane

With ammonia; potassium hexacyanoferrate(III); In 1,4-dioxane; pyridine;
DOI:10.1021/ja00438a055