8-Epitacrolimus

Base Information

Chemical Name:8-Epitacrolimus
CAS No.:129212-35-7
Molecular Formula:C₄₄H₆₉NO₁₂
Molecular Weight:804.031
Hs Code.:2934990002
UNII:294O3172M2
DSSTox Substance ID:DTXSID60861179
Nikkaji Number:J2.854.062K
Mol file:129212-35-7.mol

Synonyms:8-Epitacrolimus;129212-35-7;8-epi-Tacrolimus;Tacrolimus anhydrous 8-epimer;Tacrolimus 8-epimer [USP-RS];294O3172M2;UNII-294O3172M2;(1R,9S,12S,13R,14S,17S,18E,21S,23S,24R,25S,27R)-1,14-Dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone;Tacrolimus monohydrate impurity D [EP];Tacrolimus 8-epimer;SCHEMBL2266233;SCHEMBL2266237;DTXSID60861179;TACROLIMUS MONOHYDRATE IMPURITY D [EP IMPURITY];(3S,4R,5S,8S,9E,12S,14S,15R,16S,18R,19R,26AS)-5,19-DIHYDROXY-3-((1E)-1-((1R,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)PROP-1-EN-2-YL)-14,16-DIMETHOXY-4,10,12,18-TETRAMETHYL-8-(PROP-2-EN-1-YL)-3,4,5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26A-OCTADECAHYDRO-7H-15,19-EPOXYPYRIDO(2,1-C)(1,4)OXAAZACYCLOTRICOSINE-1,7,20,21(23H)-TETRONE;15,19-EPOXY-3H-PYRIDO(2,1-C)(1,4)OXAAZACYCLOTRICOSINE-1,7,20,21(4H,23H)-TETRONE, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26A-HEXADECAHYDRO-5,19-DIHYDROXY-3-(2-(4-HYDROXY-3-METHOXYCYCLOHEXYL)-1-METHYLETHENYL)-14,16-DIMETHOXY-4,10,12,18-TETRAMETHYL-8-(2-PROPENYL)-, (3S-(3R*(E(1S*,3S*,4S*)),4S*,5R*,8R*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26AR*))-

Suppliers and Price of 8-Epitacrolimus

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

Usbiological
8-Epitacrolimus
500ug
$ 602.00

TRC
8-Epitacrolimus
5mg
$ 2310.00

Medical Isotopes, Inc.
8-Epitacrolimus
5 mg
$ 3000.00

Medical Isotopes, Inc.
8-Epitacrolimus
0.5 mg
$ 750.00

Total 14 raw suppliers

Chemical Property of 8-Epitacrolimus

Chemical Property:

Boiling Point:871.7±75.0 °C(Predicted)
PKA:9.97±0.70(Predicted)
PSA：178.36000
Density:1.19±0.1 g/cm3(Predicted)
LogP:4.57690
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:803.48197664
Heavy Atom Count:57
Complexity:1480

Purity/Quality:

99%, ^*data from raw suppliers

8-Epitacrolimus ^*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(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)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]([C@@H]([C@H](CC(=O)[C@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC
Uses 8-Epitacrolimus is a new l-pipecolic acid macrolide lactone, an important immunosuppressive drug that blocks T cell proliferation in vitro by inhibiting the generation of several lymphokines, especially IL-2. 8-Epitacrolimus is also an Epimer of Tacrolimus (F370000).

Technology Process of 8-Epitacrolimus

There total 3 articles about 8-Epitacrolimus 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: 15.0%