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· · COA & SDS available for every product · Same-day shipping on in-stock items Tacrolimus（anhydrous）(FK506) - Moligand™, ≥98% , CAS No.104987-11-3
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98% Synonyms
(7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one;Dihydroactinidiolide | CHEBI:93221 | DB00864 | HMS1792O21 | UNII-WM0HAQ4WNM | FR900506 | FR-900506 | Modigraf | NCGC00163470-05 | NSC758659 | NSC-758659 | HY-100943 | L-679934 | M2258 | AM81227 | L04A
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 18 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
(7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one;Dihydroactinidiolide | CHEBI:93221 | DB00864 | HMS1792O21 | UNII-WM0HAQ4WNM | FR900506 | FR-900506 | Modigraf | NCGC00163470-05 | NSC758659 | NSC-758659 | HY-100943 | L-679934 | M2258 | AM81227 | L04A
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Potent calcineurin (protein phosphatase 2B) inhibitor that requires FK 506-binding protein 12 (FKBP12) for activity (IC50= 3 nM). Inhibits secretion of IL-1, IL-2 (IC50= 1 nM), IL-3, IL-4, IL-6 (IC50= 35 nM), GM-CSF, TNFα(IC50= 10 nM), IFNγand Myc from ac
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 488189839 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488189839 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 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 InChIKey QJJXYPPXXYFBGM-LFZNUXCKSA-N 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 Isomeric SMILES C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC WGK Germany 3 RTECS KD4201200 UN Number 2811 Molecular Weight 804.02 Reaxy-Rn 14244277 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14244277&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Class Macrolide lactams Subclass Not available Intermediate Tree Nodes Not available Direct Parent Macrolide lactams Alternative Parents Alpha amino acid esters Macrolides and analogues Cyclohexanols Piperidines Oxanes Tertiary carboxylic acid amides Carboxylic acid esters Cyclic alcohols and derivatives Cyclic ketones Hemiacetals Lactams Lactones Azacyclic compounds Dialkyl ethers Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Molecular Framework Aliphatic heteropolycyclic compounds Substituents Macrolide lactam - Alpha-amino acid ester - Macrolide - Alpha-amino acid or derivatives - Cyclohexanol - Oxane - Piperidine - Cyclic alcohol - Tertiary carboxylic acid amide - Cyclic ketone - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Hemiacetal - Ketone - Lactam - Lactone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organopnictogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group. External Descriptors Macrolides and lactone polyketides Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solvent:DMSO, Max Conc. mg/mL: 80.4, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 80.4, Max Conc. mM: 100 Molecular Weight 804.000 g/mol XLogP3 2.700 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 12 Rotatable Bond Count 7 Exact Mass 803.482 Da Monoisotopic Mass 803.482 Da Topological Polar Surface Area 178.000 Ų Heavy Atom Count 57 Formal Charge 0 Complexity 1480.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 14 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 2 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 2 Covalently-Bonded Unit Count 1
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