CAS |
109581-93-3 |
Chinese Name |
他克莫司一水 |
English Name |
Tacrolimus Monohydrate |
Synonym |
他克莫司一水合物;R065824;他克莫司一水合物;FK-506一水合物;他克莫司水合物;大环哌喃一水合物; |
Unit |
Bottle |
Purity |
≥98% |
Molecular Formula |
C44H71NO13 |
Molecular Weight |
822.03 |
Appearance |
White to off-white solid |
Storage |
Powder : -20℃, 2 years;In solvent(mother liquid): -20℃, 1 month; -80℃, 6 months |
Solubility |
Soluble in DMSO |
MDL |
MFCD11045918 |
InChIKey |
NWJQLQGQZSIBAF-MLAUYUEBSA-N |
InChI |
InChI=1S/C44H69NO12.H2O/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;1H2/b25-19+,27-21+;/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+;/m0./s1 |
PubChem CID |
5282315 |
SMILES |
O=C([C@@](CCCC1)([H])N1C(C([C@@]2(O)[C@H](C)C[C@H](OC)[C@@](O2)([H])[C@@H](OC)C[C@@H](C)C/C(C)=C/[C@H]3CC=C)=O)=O)O[C@H](/C(C)=C/[C@H]4C[C@@H](OC)[C@H](O)CC4)[C@H](C)[C@@H](O)CC3=O.O |
Description |
Tacrolimus monohydrate is an mTOR-independent inducer of autophagy that binds to FK506-binding protein (FKBP) to form a complex that inhibits calcineurin (PP2B). |
Target Point |
Phosphatase |
Passage |
Metabolic Enzyme&Protease |
Data Literature Source |
[1]. Thomson AW, et al. Mode of action of Tacrolimus (FK506): molecular and cellular mechanisms. Ther Drug Monit. 1995 Dec;17(6):584-91.
[2]. Vogel KR, et al. mTOR inhibitors rescue premature lethality and attenuate dysregulation of GABAergic/glutamatergic transcription in murine succinate semialdehyde dehydrogenase deficiency (SSADHD), a disorder of GABA metabolism. J Inherit Metab Dis. 2016 Nov;39(6):877-886.
[3]. Zhu H, et al. Tacrolimus promotes hepatocellular carcinoma and enhances CXCR4/SDF 1α expression in vivo. Mol Med Rep. 2014 Aug;10(2):585-92.
[4]. Okada Y, et al. Tacrolimus ameliorates dextran sulfate sodium-induced colitis in mice: implication of interferon-γ and interleukin-1β suppression. Biol Pharm Bull. 2011;34(12):1823-7. |
Specification |
5mg 10mM*1mL (in DMSO) 10mg |