ChemSpider 2D Image | Tacrolimus hydrate | C44H71NO13

Tacrolimus hydrate

  • Molecular FormulaC44H71NO13
  • Average mass822.033 Da
  • Monoisotopic mass821.492554 Da
  • ChemSpider ID20118181

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,9S,12S,13R,14S,17R,18Z,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatr ;icyclo[22.3.1.04,9]octacos-18-en-2,3,10,16-tetronhydrat (1:1) [German] [ACD/IUPAC Name]
(1R,9S,12S,13R,14S,17R,18Z,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatr ;icyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone hydrate (1:1) [ACD/IUPAC Name]
(1R,9S,12S,13R,14S,17R,18Z,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-méthoxycyclohexyl]-1-propén-2-yl}-23,25-diméthoxy-13,19,21,27-tétraméthyl-11,28-dioxa-4-azatr ;icyclo[22.3.1.04,9]octacos-18-ène-2,3,10,16-tétrone, hydrate (1:1) [French] [ACD/IUPAC Name]
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-[(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycycl ohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-, (3S,4R,5S,8R,9Z,12S,14S,15R,16S,18R,19R,26aS)-, hydrate (1:1) [ACD/Index Name]
Tacrolimus hydrate
TACROLIMUS MONOHYDRATE
Tsukubaenolide hydrate
109581-93-3 [RN]
FK 506 monohydrate
FK506 monohydrate
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A hydrate that is the monohydrate form of tacrolimus. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61057

    • Bio Activity:

      Others MedChem Express HY-13756A
      Tacrolimus monohydrate(FK506; FR900506) is a potent immunosuppressive drug often administered to transplant recipient patients and exhibits a variety of adverse cardiovascular effects. MedChem Express
      Tacrolimus monohydrate(FK506; FR900506) is a potent immunosuppressive drug often administered to transplant recipient patients and exhibits a variety of adverse cardiovascular effects.; IC50 Value: 0.47 nM (Inhibition of lymphocyte proliferation) [1]; Target: ; in vitro: MP and tacrolimus decreased the number of circulating helper-T cells with IC50 values of 23 ng/ml for MP and 6.7 ng/ml for tacrolimus. MedChem Express HY-13756A
      Tacrolimus monohydrate(FK506; FR900506) is a potent immunosuppressive drug often administered to transplant recipient patients and exhibits a variety of adverse cardiovascular effects.;IC50 Value: 0.47 nM (Inhibition of lymphocyte proliferation) [1];Target: ;In vitro: MP and tacrolimus decreased the number of circulating helper-T cells with IC50 values of 23 ng/ml for MP and 6.7 ng/ml for tacrolimus. After coadministration of these drugs, an interaction occurs, but the nature (additive or antagonistic) of this interaction was not clear. The IC50 of tacrolimus for in vitro inhibition of lymphocyte proliferation was 0.39 ng/ml (0.47 nM) and 1.02 ng/ml (2.73 nM) for MP. The maximum percentage of inhibition was 94.6% for tacrolimus and 64.9% for MP [1]. K506 inhibited the proliferation of T cell clones stimulated with specific antigens in a dose-dependent manner, and at about 100-fold lower concentrations than CsA. FK506 inhibited both IL-2 secretion and IL-2 receptor expression of BC. MedChem Express HY-13756A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

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