Withametelin B
Withametelin B is a hexacyclic withanolide that can be isolated from Datura metel leaves. Withametelin B can bind to Bcl-2.
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。
- CAS 番号: 123523-09-1
- 分子式: C28H36O5
- 分子量:452.58
-
保管条件:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
-
生物活性
-
化学情報
- 純度とドキュメンテーション
- 参考文献
-
Help & FAQs
生物活性
Withametelin B binds to purified Bcl-2 (PDB ID 6O0K) with a binding affinity of -8.8 kcal/mol, interacting with key functional residues of the protein's BH1 domain[1].
Withametelin B binds to Bcl-2 with a favorable binding free energy of -32.22 kJ/mol, confirming a strong stable interaction[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
化学情報
-
CAS 番号 123523-09-1
-
分子量 452.58
-
分子式 C28H36O5
-
SMILES
C[C@@]12[C@](CC[C@]2([H])[C@@]3([H])[C@@]4([H])C[C@@](OC3)(C(C(O4)=O)=C)C)([H])[C@@]5([H])[C@@](CC1)([H])[C@@]6(C([C@@H](C5)O)=CC=CC6=O)C
-
Structure Classification
-
Initial Source
-
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
[1]. Alkhathami AG, et al. Phytochemicals Daturilinol and Withametelin B identified as novel Bcl2 inhibitors via virtual screening and molecular simulations. Sci Rep. 2025;15(1):33029. Published 2025 Sep 26. [Content Brief]
[2]. Mohini Gupta, et al. Additional Withanolides of Datura metel. J. Nat. Prod. 1991, 54, 2, 599-602.
Calculators
濃度 (開始) × 体積 (開始) = 濃度 (終了) × 体積 (終了)
Withametelin B 関連分類
HY-N20627 関連分類
Powered by Bioz