structure of (4S,4'S)-2,2'-(Cyclohexane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole)

(4S,4'S)-2,2'-(Cyclohexane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole)

CAS No.: 1003886-07-4
M. Wt: 402.53
M. Fa: C26H30N2O2
InChI Key: JPJXGGLYDTXDOC-GOTSBHOMSA-N
Appearance: Yellow Liquid

Names and Identifiers of 1003886-07-4

CAS Number

1003886-07-4

IUPAC Name

(4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole

InChI

InChI=1S/C26H30N2O2/c1-4-10-20(11-5-1)16-22-18-29-24(27-22)26(14-8-3-9-15-26)25-28-23(19-30-25)17-21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2/t22-,23-/m0/s1

InChIKey

JPJXGGLYDTXDOC-GOTSBHOMSA-N

Canonical SMILES

C1CCC(CC1)(C2=NC(CO2)CC3=CC=CC=C3)C4=NC(CO4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)(C2=N[C@H](CO2)CC3=CC=CC=C3)C4=N[C@H](CO4)CC5=CC=CC=C5

Physical and chemical properties of 1003886-07-4

Acidity coefficient

5.83±0.70(Predicted)

Boiling Point

536.3±33.0 °C

Density

1.19±0.1 g/cm3

Molecular Formula

C26H30N2O2

Molecular Weight

402.53

Storage condition

2-8°C

Safety Information of 1003886-07-4

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1003886-07-4

The potential applications of (4S,4'S)-2,2'-(Cyclohexane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole) include:

  • Pharmaceutical Development: Its unique structure may lead to novel drug candidates targeting specific diseases.
  • Agricultural Chemicals: If shown to possess antimicrobial properties, it could serve as a basis for new agrochemicals.
  • Material Science: The compound's stability and reactivity could be harnessed in developing new materials with specific properties.

Interaction Studies of 1003886-07-4

Interaction studies are essential for understanding how (4S,4'S)-2,2'-(Cyclohexane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole) interacts with biological targets. Techniques such as:

  • Molecular Docking: This computational method can predict how the compound binds to proteins or enzymes.
  • In Vitro Binding Assays: These experiments measure the affinity of the compound for specific biological targets.
  • Cell-Based Assays: Evaluating the effects on cell viability and function provides insight into its biological efficacy.

These studies help elucidate the mechanisms underlying its potential therapeutic effects.

Biological Activity of 1003886-07-4

Compounds containing oxazole moieties are often associated with significant biological activities. Studies suggest that (4S,4'S)-2,2'-(Cyclohexane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole) may exhibit:

  • Antimicrobial Properties: Similar compounds have shown effectiveness against various bacterial strains.
  • Anticancer Activity: Oxazole derivatives have been investigated for their potential to inhibit cancer cell proliferation through mechanisms such as apoptosis induction.
  • Neuroprotective Effects: Some studies indicate that oxazole-containing compounds may protect neuronal cells from oxidative stress.

The precise biological activity of this specific compound would require empirical testing through in vitro and in vivo assays.

Physical sample testing spectrum (NMR) of 1003886-07-4

Physical sample testing spectrum (NMR) of 1003886-07-4