Tacrolimus
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Category | Tacrolimus Analogue Set |
Catalog number | BBF-05768 |
CAS | 104987-11-3 |
Molecular Weight | 804.02 |
Molecular Formula | C44H69NO12 |
Purity | >98% |
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Capabilities & Facilities
Fermentation Lab
4 R&D and scale-up labs
2 Preparative purification labs
Fermentation Plant
Semi pilot, pilot and industrial plant 4 Manufacturing sites 7 Production lines at pilot scale 100+ Reactors of 30-4000 L; 170+ reactors of 20 KL-30 KL; 24+ reactors of >100 KL 2 Hydrogenation reactors (200 L, 4Mpa and 1000L, 4Mpa)
Product Description
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.
- Specification
- Properties
- Toxicity
- Reference Reading
- Spectrum
- Price Product List
- QC Data
Related CAS | 109581-93-3 (monohydrate) |
Synonyms | Prograf; Fujimycin; FK506; Protopy |
Storage | Store at -20°C |
IUPAC Name | (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-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-17-prop-2-enyl-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 |
InChI Key | QJJXYPPXXYFBGM-LFZNUXCKSA-N |
Source | Streptomyces hygroscopicus |
Appearance | White to Off-white Solid |
Application | drug |
Antibiotic Activity Spectrum | fungi |
Boiling Point | 871.7°C at 760 mmHg |
Melting Point | 127-129°C |
Flash Point | 481°C |
Density | 1.19 g/cm3 |
Solubility | Soluble in ethanol, methanol, DMF or DMSO |
LogP | 3.3 |
Carcinogenicity | No indication of carcinogenicity to humans (not listed by IARC). |
Mechanism Of Toxicity | The mechanism of action of tacrolimus in atopic dermatitis is not known. While the following have been observed, the clinical significance of these observations in atopic dermatitis is not known. It has been demonstrated that tacrolimus inhibits T-lymphocyte activation by first binding to an intracellular protein, FKBP-12. A complex of tacrolimus-FKBP-12, calcium, calmodulin, and calcineurin is then formed and the phosphatase activity of calcineurin is inhibited. This prevents the dephosphorylation and translocation of nuclear factor of activated T-cells (NF-AT), a nuclear component thought to initiate gene transcription for the formation of lymphokines. Tacrolimus also inhibits the transcription for genes which encode IL-3, IL-4, IL-5, GM-CSF, and TNF-, all of which are involved in the early stages of T-cell activation. Additionally, tacrolimus has been shown to inhibit the release of pre-formed mediators from skin mast cells and basophils, and to downregulate the expression of FceRI on Langerhans cells. |
Toxicity | LD50 = 134-194 mg/kg (rat). |
Spectrum
Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive

Experimental Conditions
Ionization Energy: 70 eV
Chromatography Type: Gas Chromatography Column (GC)
Instrument Type: Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution: 0.0001 Da
Molecular Formula: C44H69NO12
Molecular Weight (Monoisotopic Mass): 803.482 Da
Molecular Weight (Avergae Mass): 804.0182 Da
Derivative Type: TMS_1_1
LC-MS/MS Spectrum - Linear Ion Trap , negative

Experimental Conditions
Ionization Mode: negative
Predicted LC-MS/MS Spectrum - 10V, Positive

Experimental Conditions
Collision Energy: 10 eV
Instrument Type: QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution: 0.0001 Da
Molecular Formula: C44H69NO12
Molecular Weight (Monoisotopic Mass): 803.482 Da
Molecular Weight (Avergae Mass): 804.0182 Da
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
