Product Information
Chemical Data
Analyte Name
Tacrolimus (13C,D2)
CAS Number
1356841-89-8
Molecular Formula
13C C43 D2 H67 N O12
Molecular Weight
807.02
Accurate Mass
806.4979
SMILES
[2H][13C](=CC[C@@H]1\C=C(/C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N3CCC[C@H](C3)C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)\C(=C\[C@@H]4CC[C@@H](O)[C@@H](C4)OC)\C)[2H]
InChI
InChI=1S/C44H69NO12/c1-10-12-31-18-25(2)17-26(3)19-37(54-8)40-38(55-9)21-28(5)44(52,57-40)41(49)42(50)45-16-11-13-32(24-45)43(51)56-39(29(6)34(47)23-35(31)48)27(4)20-30-14-15-33(46)36(22-30)53-7/h10,18,20,26,28-34,36-40,46-47,52H,1,11-17,19,21-24H2,2-9H3/b25-18+,27-20+/t26-,28+,29+,30-,31+,32+,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1/i1+1D2
Unlabelled CAS Number
104987-11-3
SIL Type
Carbon, Deuterium
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Stable Isotope Labelled
Product Format
Neat
API Family
Product Description
A labelled 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. A representative lot contained a distribution of 20% d-1, 40% d-2 and 20% d-3.
References: Asano, K., et al.: In Vivo, 10, 537 (1996), McCall, E., et al.: Circ. Res., 79, 1110 (1996), Raufman, J.P., et al.: J. Biol. Chem., 271, 19877 (1996), Rokaw, M.D., et al.: Am. J. Physiol., 271, C194 (1996), Knoll, G.A., et al.: Brit. Med. J., 318, 1104 (1999),
Read more