![structure of (1R,2R,5S,6R,7R)-6,8,8-Trimethyl-3-azatricyclo[5.1.1.02,5]nonan-4-one](https://molwiki.oss-cn-hongkong.aliyuncs.com/structure/34/1000304-34-6.svg)
(1R,2R,5S,6R,7R)-6,8,8-Trimethyl-3-azatricyclo[5.1.1.02,5]nonan-4-one
Names and Identifiers of 1000304-34-6
CAS Number |
1000304-34-6 |
|---|---|
IUPAC Name |
(1R,2R,5S,6R,7R)-6,8,8-trimethyl-3-azatricyclo[5.1.1.02,5]nonan-4-one |
InChI |
InChI=1S/C11H17NO/c1-5-6-4-7(11(6,2)3)9-8(5)10(13)12-9/h5-9H,4H2,1-3H3,(H,12,13)/t5-,6-,7+,8+,9-/m1/s1 |
InChIKey |
DYJCUNKVHDGMKK-XGQMLPDNSA-N |
Canonical SMILES |
CC1C2CC(C2(C)C)C3C1C(=O)N3 |
Isomeric SMILES |
C[C@@H]1[C@H]2C[C@H](C2(C)C)[C@@H]3[C@H]1C(=O)N3 |
Physical and chemical properties of 1000304-34-6
Exact Mass |
179.13100 |
|---|---|
LogP |
1.74180 |
Molecular Formula |
C11H17NO |
Molecular Weight |
179.25900 |
PSA |
29.10000 |
Applications of 1000304-34-6
The unique structure and potential biological activity of (1R,2R,5S,6R,7R)-6,8,8-Trimethyl-3-azatricyclo[5.1.1.02,5]nonan-4-one make it a candidate for various applications:
- Pharmaceutical development, particularly in creating novel drugs targeting specific diseases.
- Agricultural chemistry, where it may serve as a biopesticide or growth regulator due to its biological activity.
- Flavor and fragrance industries, where structurally similar compounds are often used for their aromatic properties.
Interaction Studies of 1000304-34-6
Interaction studies involving (1R,2R,5S,6R,7R)-6,8,8-Trimethyl-3-azatricyclo[5.1.1.02,5]nonan-4-one focus on its binding affinity and specificity towards biological targets such as enzymes or receptors:
- Molecular docking studies can predict how well this compound binds to target proteins.
- In vitro assays can evaluate its effects on cell lines or isolated tissues to determine pharmacological profiles.
These studies are essential for understanding how this compound functions at a molecular level and its potential therapeutic uses .
Biological Activity of 1000304-34-6
Research indicates that compounds similar to (1R,2R,5S,6R,7R)-6,8,8-Trimethyl-3-azatricyclo[5.1.1.02,5]nonan-4-one may exhibit a range of biological activities:
- Antimicrobial properties, potentially inhibiting the growth of various pathogens.
- Antioxidant activity, which can protect cells from oxidative damage by neutralizing free radicals .
- Anti-inflammatory effects, possibly modulating immune responses through interaction with inflammatory pathways.
The exact biological profile of this specific compound would require empirical studies to elucidate its mechanisms of action and efficacy.
Cas:7785-70-8
