nNOS-IN-3
nNOS-IN-3 (compound 4) is an orally active, selective, neuronal nitric oxide synthase (nNOS) inhibitor with a human hnNOS Ki of 25 nM, rat rnNOS Ki of 18 nM, human heNOS Ki of 58140 nM, human hiNOS Ki of 6422 nM. nNOS-IN-3 binds to nNOS active sites via hydrogen bonds with Glu and chalcogen bonds with Met, fails to form chalcogen bonds with heNOS, and undergoes passive transcellular transport with minimal efflux liability. nNOS-IN-3 can be used for the research of neurodegenerative diseases and melanoma.
商品は「研究用試薬」です。人や動物の医療用・臨床診断用・食品用の製品ではありません。
研究用途以外に使用した場合、当社は一切の責任を負いかねます。
- 分子式: C17H23Cl2F2N3O
- 分子量:394.29
-
保管条件:
Please store the product under the recommended conditions in the Certificate of Analysis.
生物活性
nNOS-IN-3 (compound 4) potently inhibits human nNOS with a Ki of 25 nM, and shows 2335-fold selectivity over human eNOS and 256-fold selectivity over human iNOS; it also inhibits rat nNOS with a Ki of 18 nM[1].
nNOS-IN-3 (200 μM; 17 h) exhibits favorable blood-brain barrier permeability in the PAMPA-BBB assay with an effective permeability of 16.67×10-6 cm/s, qualifying it as CNS-permeant[1].
nNOS-IN-3 shows high passive transcellular permeability in the Caco-2 assay, with an efflux ratio of 0.87 indicating minimal active efflux liability, supporting efficient intestinal absorption and blood-brain barrier penetration[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
化学情報
-
分子量 394.29
-
分子式 C17H23Cl2F2N3O
-
SMILES
CC1=CC(COC2=C(C(F)=CC(CCN(C)C)=C2)F)=NC(N)=C1.Cl.Cl
-
輸送条件
Room temperature in continental US; may vary elsewhere.
-
保管条件
Please store the product under the recommended conditions in the Certificate of Analysis.
純度とドキュメンテーション
参考文献
Calculators
濃度 (開始) × 体積 (開始) = 濃度 (終了) × 体積 (終了)