Iso-FK-506

Base Information

Chemical Name:Iso-FK-506
CAS No.:134590-88-8
Molecular Formula:C44H69NO12
Molecular Weight:804.01816
Hs Code.:
UNII:AP3VG6M3W4
Mol file:134590-88-8.mol

Synonyms:ISO-FK-506;AP3VG6M3W4;ISO-FK 506;UNII-AP3VG6M3W4;134590-88-8;Iso-FK-506 (iso-Tacrolimus);13,17-EPOXY-3H-PYRIDO(2,1-C)(1,4)OXAAZACYCLOHENEICOSINE-1,5,18,19(4H,21H)-TETRONE, 6,9,10,11,12,13,14,15,16,17,22,23,24,24A-TETRADECAHYDRO-17-HYDROXY-3-(2-HYDROXY-4-(4-HYDROXY-3-METHOXYCYCLOHEXYL)-1,3-DIMETHYL-3-BUTENYL)-12,14-DIMETHOXY-8,10,16-TRIMETHYL-6-(2-PROPENYL)-, (3S-(3R*(1R*,2R*,4(1S*,3S*,4S*)),6S*,10R*,12R*,13R*,14R*,16S*,17S*,24AR*))-

Suppliers and Price of Iso-FK-506

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
Iso-FK-506(iso-Tacrolimus)
10mg
$ 3025.00

TRC
Iso-FK-506(iso-Tacrolimus)
0.5mg
$ 215.00

Total 8 raw suppliers

Chemical Property of Iso-FK-506

Chemical Property:

Melting Point:82-87°C
Boiling Point:880.1±75.0 °C(Predicted)
PKA:9.96±0.70(Predicted)
PSA：178.36000
Density:1.19±0.1 g/cm3(Predicted)
LogP:4.57690
Storage Temp.:Hygroscopic, -20?C Freezer, Under Inert Atmosphere
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:803.48197664
Heavy Atom Count:57
Complexity:1480

Purity/Quality:

95% ^*data from raw suppliers

Iso-FK-506(iso-Tacrolimus) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(CC(=O)C(C=C(C1)C)CC=C)C(C)C(C(=CC4CCC(C(C4)OC)O)C)O)O)C)OC)OC
Isomeric SMILES:C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)[C@@H](C)[C@@H](/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)O)C)OC)OC
Uses An isomer of FK-506 (F370000) from fermentation of Streptomyces tsukubaensis, as immunosuppressant and antiinflammatory agent.

Technology Process of Iso-FK-506

There total 6 articles about Iso-FK-506 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: 88.0%

: 134590-89-9
33-O-tert.butyldimethylsilyl-26-O-trimethylsilyl-iso-FK-50

: 134590-88-8
iso-FK-506

Guidance literature:: With hydrogenchloride; In acetonitrile; for 0.5h; Ambient temperature;
DOI:10.1016/S0040-4020(01)89004-9

Reference yield:

: 104987-11-3
Tacrolimus

: 134590-88-8
iso-FK-506

Guidance literature:: Multi-step reaction with 6 steps

1: imidazole / dimethylformamide

2: 66 percent / tetramethylammonium triacetoxyborohydride / acetonitrile; acetic acid / 5 h / -5 - 0 °C

3: 70 percent / 4-dimethylaminopyridine / dimethylformamide / 168 h / 50 °C

4: 57 percent / 2,6-lutidine / CH₂Cl₂ / 0.5 h / -70 °C

5: 69 percent / N-methyl-morpholine-N-oxide, tetrapropylammonium-perrhutenate / CH₂Cl₂ / 12 h / Ambient temperature; presence of 4 A mol sieve

6: 88 percent / 1 N HCl / acetonitrile / 0.5 h / Ambient temperature

With 1H-imidazole; 2,6-dimethylpyridine; hydrogenchloride; dmap; tetrapropylammonium perruthennate; 4-methylmorpholine N-oxide; tetramethylammonium triacetoxyborohydride; In dichloromethane; acetic acid; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/S0040-4020(01)89004-9

Reference yield:

: 104987-25-9
33-O-tert.butyldimethylsilyl-FK-506

: 134590-88-8
iso-FK-506

Guidance literature:: Multi-step reaction with 5 steps

1: 66 percent / tetramethylammonium triacetoxyborohydride / acetonitrile; acetic acid / 5 h / -5 - 0 °C

2: 70 percent / 4-dimethylaminopyridine / dimethylformamide / 168 h / 50 °C

3: 57 percent / 2,6-lutidine / CH₂Cl₂ / 0.5 h / -70 °C

4: 69 percent / N-methyl-morpholine-N-oxide, tetrapropylammonium-perrhutenate / CH₂Cl₂ / 12 h / Ambient temperature; presence of 4 A mol sieve

5: 88 percent / 1 N HCl / acetonitrile / 0.5 h / Ambient temperature

With 2,6-dimethylpyridine; hydrogenchloride; dmap; tetrapropylammonium perruthennate; 4-methylmorpholine N-oxide; tetramethylammonium triacetoxyborohydride; In dichloromethane; acetic acid; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/S0040-4020(01)89004-9