Tacrolimus-[13C,d4]

General Information
Catalog: BLP-004518
Molecular Formula: C43[13C]H65D4NO12
Molecular Weight: 809.04
Related CAS: 104987-11-3 (unlabelled)
Description Tacrolimus-[13C,d4] is a labelled compound of Tacrolimus. FK-506 is a 23-membered macrolide lactone, it reduces peptidyl-prolyl isomerase activity by binding to the immunophilin FKBP12 (FK506 binding protein) creating a new complex.
IUPAC Name (1R,9S,12S,13R,14S,17R,18Z,21S,23S,24R,25S,27R)-15,15-dideuterio-17-(3,3-dideuterio(3-13C)prop-2-enyl)-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-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
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
InChI InChI=1S/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+/m0/s1/i1+1D2,24D2
InChI Key QJJXYPPXXYFBGM-XENOHCEYSA-N
Purity ≥95%
Solubility Soluble in Chloroform
Appearance Off-white to Yellow Powder
Storage Store at 2-8°C

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