Dihydro-FK506 | CAS No. 104987-30-6

Dihydro-FK506

Basic Information

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CAS Number

104987-30-6

Molecular Formula

C44H71NO12

Molecular Weight

806.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CCCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)C

InChI

InChI=1S/C44H71NO12/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/h19,21,26,28-34,36-40,46-47,52H,10-18,20,22-24H2,1-9H3

InChIKey

RQYGKZGKXDOUEO-UHFFFAOYSA-N

LogP

4.863000000000005

Topological Polar Surface Area

178.35999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 13

Complexity

1450

Synonyms & References

English

TACROLIMUS MONOHYDRATE IMPURITY E [EP IMPURITY]
UNII-0SDH06DWVW
Dihydro-FK-506
Dihydro FK-506
CHEMBL347139
Q27237196
Dihydro-fk-506, (-)-
Tsukubamycin B
104987-30-6
(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-propyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
0SDH06DWVW
DIHYDRO-FK506
Dihydro Tacrolimus
(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-[(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-propyl-3,4,5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-octadecahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(23H)-tetrone

MDL Number

MFCD20487791

FAQ

What are the physical and chemical properties of Dihydro-FK506 (CAS: 104987-30-6)?

Dihydro-FK506 is a crystalline compound (CAS: 104987-30-6) with a molecular weight of approximately 548.63 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and ethanol. It is relatively stable under normal conditions but can react with strong acids or bases. Dihydro-FK506 is known for its immunosuppressive and anticancer properties.

How is Dihydro-FK506 (CAS: 104987-30-6) typically synthesized?

Dihydro-FK506 (CAS: 104987-30-6) is typically synthesized through a multistep process involving key reactions such as condensation, reduction, and acylation. This synthesis often uses catalysts like palladium or nickel to improve the selectivity and yield. The final product is obtained with good purity, making it suitable for pharmaceutical applications.

What industries use Dihydro-FK506 (CAS: 104987-30-6)?

Dihydro-FK506 (CAS: 104987-30-6) is primarily used in the pharmaceutical industry for its immunosuppressive effects in organ transplantation and autoimmune diseases. It is also studied for its potential in cancer therapy and is used in research for its anti-inflammatory properties. Its applications extend to polymer chemistry and as a probe in biological research.

What precautions should be taken when handling Dihydro-FK506 (CAS: 104987-30-6)?

When handling Dihydro-FK506 (CAS: 104987-30-6), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood due to its potential to irritate the respiratory system. In case of a spill, immediately clean it up using appropriate absorbents and follow the safety data sheet (SDS) for further guidance. Ensure proper storage in a cool, dry place away from direct sunlight and incompatible materials.