Isopropyl (1S,3R,5Z,7E,22E,24R)-1,3,24-trihydroxy-25-methyl-9,10-secocholesta-5,7,10,22-tetraen-26-oate | CAS No. 156965-06-9

Isopropyl (1S,3R,5Z,7E,22E,24R)-1,3,24-trihydroxy-25-methyl-9,10-secocholesta-5,7,10,22-tetraen-26-oate

Basic Information

CAS Number

156965-06-9

Molecular Formula

C31H48O5

Molecular Weight

500.72 g/mol

AD

Basic Physical Properties

CC(C)OC(=O)C(C)(C)C(C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O

InChI

InChI=1S/C31H48O5/c1-19(2)36-29(35)30(5,6)28(34)15-10-20(3)25-13-14-26-22(9-8-16-31(25,26)7)11-12-23-17-24(32)18-27(33)21(23)4/h10-12,15,19-20,24-28,32-34H,4,8-9,13-14,16-18H2,1-3,5-7H3/b15-10+,22-11+,23-12-/t20-,24-,25-,26+,27+,28-,31-/m1/s1

InChIKey

AUMBXYDXKLLKEK-BGMQPCSBSA-N

LogP

5.658400000000008

Topological Polar Surface Area

86.99000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

910

Synonyms & References

English

  • AKOS025312294
  • AC-8881
  • SCHEMBL8529759
  • ZK-156942
  • Q27270807
  • 156965-06-9
  • 8O4QYK6G4Y
  • propan-2-yl (E,3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-hydroxy-2,2-dimethylhept-4-enoate
  • CHEMBL2104989
  • D09019
  • TISOCALCITATE [USAN]
  • ZK 156942
  • ZK156942
  • Tisocalcitate (INN/USAN)
  • Tisocalcitate [USAN:INN]
  • Isopropyl (1S,3R,5Z,7E,22E,24R)-1,3,24-trihydroxy-9,10-secocholesta-5,7,10(19),22-tetraene-25-carboxylate
  • Tissocalcitol
  • UNII-8O4QYK6G4Y
  • Tisocalcitate [INN]
  • Tisocalcitate

MDL Number

MFCD12911891

FAQ

What are the physical and chemical properties of Isopropyl (1S,3R,5Z,7E,22E,24R)-1,3,24-trihydroxy-25-methyl-9,10-secocholesta-5,7,10,22-tetraen-26-oate (CAS: 156965-06-9)?

Isopropyl (1S,3R,5Z,7E,22E,24R)-1,3,24-trihydroxy-25-methyl-9,10-secocholesta-5,7,10,22-tetraen-26-oate is a crystalline compound with a molecular weight of approximately 654.84 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is less reactive, showing limited reactivity with common reagents. It is stable under normal conditions but should be stored away from strong oxidizers and sources of heat.

How is Isopropyl (1S,3R,5Z,7E,22E,24R)-1,3,24-trihydroxy-25-methyl-9,10-secocholesta-5,7,10,22-tetraen-26-oate (CAS: 156965-06-9) typically synthesized?

Isopropyl (1S,3R,5Z,7E,22E,24R)-1,3,24-trihydroxy-25-methyl-9,10-secocholesta-5,7,10,22-tetraen-26-oate is synthesized through a series of complex organic reactions involving alkene epoxidation, hydroxylation, and esterification. Commonly, this compound is prepared using enzymatic catalysis, which provides high selectivity and yield. The process typically involves several steps, including the use of specific catalysts and solvents.

What industries use Isopropyl (1S,3R,5Z,7E,22E,24R)-1,3,24-trihydroxy-25-methyl-9,10-secocholesta-5,7,10,22-tetraen-26-oate (CAS: 156965-06-9)?

Isopropyl (1S,3R,5Z,7E,22E,24R)-1,3,24-trihydroxy-25-methyl-9,10-secocholesta-5,7,10,22-tetraen-26-oate is primarily used in the pharmaceutical and chemical industries. It is a key intermediate in the synthesis of various bioactive molecules and can be found in formulations for topical treatments. Additionally, it has applications in the cosmetic industry for its potential biocompatibility and stability.

What precautions should be taken when handling Isopropyl (1S,3R,5Z,7E,22E,24R)-1,3,24-trihydroxy-25-methyl-9,10-secocholesta-5,7,10,22-tetraen-26-oate (CAS: 156965-06-9)?

When handling Isopropyl (1S,3R,5Z,7E,22E,24R)-1,3,24-trihydroxy-25-methyl-9,10-secocholesta-5,7,10,22-tetraen-26-oate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, use a fume hood and appropriate containment materials to prevent dispersion. Always refer to the Material Safety Data Sheet (MSDS) for detailed handling and safety information.

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