delta23-FK-506 | CAS No. 104987-16-8

delta23-FK-506

Basic Information

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CAS Number

104987-16-8

Molecular Formula

C44H67NO11

Molecular Weight

786.02 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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CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C=CC(=O)C(C=C(C1)C)CC=C)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC

InChI

InChI=1S/C44H67NO11/c1-10-13-32-21-26(2)20-27(3)22-37(53-8)40-38(54-9)24-30(6)44(51,56-40)41(48)42(49)45-19-12-11-14-33(45)43(50)55-39(28(4)15-17-34(32)46)29(5)23-31-16-18-35(47)36(25-31)52-7/h10,15,17,21,23,27-28,30-33,35-40,47,51H,1,11-14,16,18-20,22,24-25H2,2-9H3/b17-15+,26-21+,29-23+/t27-,28+,30+,31-,32+,33-,35+,36+,37-,38-,39-,40+,44+/m0/s1

InChIKey

PLHJNIVKYISEQW-ADGUVUBISA-N

LogP

5.444200000000006

Topological Polar Surface Area

158.13 Å²

Hydrogen Bond Donor/Acceptor

2 / 12

Complexity

1490

Synonyms & References

English

Δ23-FK-506
DELTA23-FK 506
Tacrolimus Diene
(3S,4R,8R,12S,14S,15R,16S,18R,19R,26aS)-8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Tetradecahydro-19-hydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-15,19-epoxy(5E,9E)-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone
(3S,4R,5E,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-19-hydroxy-3-[(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-3,4,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(23H)-tetrone
SCHEMBL15462582
104987-16-8
Q27283102
.DELTA.23-FK-506
(3S,4R,8R,12S,14S,15R,16S,18R,19R,26aS)-8,11,12,13,14,15,16,17,18,19,24,25,26,26a-tetradecahydro-19-hydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-15,19-epoxy(5E,
LOS6YV3B9N
delta23-FK-506
TACROLIMUS DIENE [USP IMPURITY]
TACROLIMUS MONOHYDRATE IMPURITY I [EP IMPURITY]
Tacrolimus impurity, tacrolimus diene- [USP]
UNII-LOS6YV3B9N
(1R,9S,12S,13R,14E,17R,18E,21S,23S,24R,25S,27R)-1-hydroxy-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]octacosa-14,18-diene-2,3,10,16-tetrone
23,24-Anhydro tacrolimus
Tacrolimus diene

MDL Number

MFCD28358828

FAQ

What are the physical and chemical properties of delta23-FK-506 (CAS: 104987-16-8)?

Delta23-FK-506 is a crystalline compound with a molecular weight of approximately 661.72 g/mol. It is poorly soluble in water but soluble in organic solvents like methanol and dimethyl sulfoxide. Chemically, it is stable under normal conditions but can react with strong acids or bases. Its solubility and reactivity make it suitable for specific applications in pharmaceutical research.

How is delta23-FK-506 (CAS: 104987-16-8) typically synthesized?

Delta23-FK-506 is typically synthesized through a multi-step process involving protection of functional groups, selective deprotection, and ring formation. Common methods include use of Lewis acids as catalysts and involve a series of reactions such as alkylation, acylation, and intramolecular cyclization. The overall yield is around 30-40%, with careful control of reaction conditions ensuring high selectivity.

What industries use delta23-FK-506 (CAS: 104987-16-8)?

Delta23-FK-506 is primarily used in the pharmaceutical industry for research purposes, particularly in the investigation of immune system modulation and signal transduction pathways. It is also explored in polymer science for its potential in developing novel materials. Limited applications are seen in sensor technology and semiconductor research.

What precautions should be taken when handling delta23-FK-506 (CAS: 104987-16-8)?

When handling delta23-FK-506, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize inhalation risks. Spills should be cleaned up immediately using personal protective equipment and following standard safety protocols. For detailed safety information, refer to the Material Safety Data Sheet (MSDS/SDS).