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ChemicalBook--->CAS DataBase List--->144490-63-1

144490-63-1

144490-63-1 Structure

144490-63-1 Structure
IdentificationBack Directory
[Name]

19-Epi FK-506
[CAS]

144490-63-1
[Synonyms]

19-Epi FK-506
Ascomycin 19 epimer
Tacrolimus 19-epimer
Tacrolimus Impurity 6
Tacrolimus EP Impurity G
ascomycin epimeric 19 body
QJJXYPPXXYFBGM-VIJOMOBOSA-N
19-Epi FK-506 (Tacrolimus Impurity)
tacrolimus difference SECRETARY 19 epimers
Tacrolimus Impurity 8(Tacrolimus EP Impurity G)(Tacrolimus 19-Epimer)
1,14-dihydroxy-12-[1-(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
[Molecular Formula]

C44H69NO12
[MOL File]

144490-63-1.mol
[Molecular Weight]

804.03
Chemical PropertiesBack Directory
[Boiling point ]

871.7±75.0 °C(Predicted)
[density ]

1.19±0.1 g/cm3(Predicted)
[pka]

9.97±0.70(Predicted)
[InChI]

InChI=1/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19-,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44-/s3
[InChIKey]

QJJXYPPXXYFBGM-ZADLGOIHNA-N
[SMILES]

O([C@H]1C[C@@H](C)[C@]2(C(C(N3CCCC[C@@]3([H])C(O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CC=C)C=C(C)C[C@H](C)C[C@H](OC)[C@@]1([H])O2)/C(/C)=C/[C@@H]1CC[C@@H](O)[C@H](OC)C1)=O)=O)=O)O)C |t:30,&1:1,3,5,13,17,18,20,25,33,36,39,45,48,50,r|
Hazard InformationBack Directory
[Uses]

19-Epi FK-506 is an impurity in the synthesis of FK-506 [Tacrolimus] (F370000), an immunosuppressant that blocks T cell proliferation in vitro by inhibiting the generation of several lymphokines, especially IL-2. Shown to inhibit the activity of FK-506 binding protein, thereby reversing its effects on sarcoplasmic reticulum Ca+2 release.
[Uses]

19-Epi FK-506 is an impurity in the synthesis of FK-506 [Tacrolimus] (F370000), an immunosuppressant that blocks T cell proliferation in vitro by inhibiting the generation of several lymphokines, especially IL-2. Shown to inhibit the activity of FK-506 binding protein, thereby reversing its effects on sarcoplasmic reticulum Ca+2 release.
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