Aderbasib
CAS 791828-58-5 MFCD91828585
化学结构图
SMILES: COC(=O)N1CC2(CC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCN(c2ccccc2)CC1
化学属性
| Mol. Weight | 416.47082 |
|---|---|
| Mol. Formula | C21H28N4O5 |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| CAS Number | 791828-58-5 |
|---|---|
| Chemical Name | Aderbasib |
| Synonym | (6S,7S)-7-[(Hydroxyamino)carbonyl]-6-[(4-phenyl-1-piperazinyl)carbonyl]-5-azaspiro[2.5]octane-5-carboxylic Acid Methyl Ester INCB 007839 INCB7839; INCB 7839; INCB-7839; INCB007839; INCB 007839; INCB-007839; Aderbasib. |
| Formula | C21H28N4O5 |
| IUPAC Name | (6S,7S)-7-[(Hydroxyamino)carbonyl]-6-[(4-phenyl-1-piperazinyl)carbonyl]-5-azaspiro[2.5]octane-5-carboxylic acid methyl ester |
| InChIKey | DJXMSZSZEIKLQZ-IRXDYDNUSA-N |
| InChI | InChI=1S/C21H28N4O5/c1-30-20(28)25-14-21(7-8-21)13-16(18(26)22-29)17(25)19(27)24-11-9-23(10-12-24)15-5-3-2-4-6-15/h2-6,16-17,29H,7-14H2,1H3,(H,22,26)/t16-,17-/m0/s1 |
| Canonical SMILES | O=C(N([C@H](C(N1CCN(C2=CC=CC=C2)CC1)=O)[C@@H](C(NO)=O)C3)CC43CC4)OC |
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分类
- Amines
- Aromatics
- Chiral Reagents
- Heterocycles
- Pharmaceuticals
- Intermediates & Fine Chemicals
产品应用
- Aderbasib, also known as INCB007839, is a sheddase inhibitor, is also an orally bioavailable inhibitor of the ADAM (A Disintegrin And Metalloprotease) family of multifunctional membrane-bound proteins with potential antineoplastic activity. Aderbasib represses the metalloproteinase "sheddase" activities of ADAM10 and ADAM17, which may result in the inhibition of tumor cell proliferation. The metalloproteinase domains of ADAMs cleave cell surface proteins at extracellular sites proximal to the cell membrane, releasing or "shedding" soluble protein etcodomains from the cell surface; the disintegrin domains of these multifunctional proteins interact with various components of the extracellular matrix (ECM).
相关文献及参考
- Kuipers, W., et al.: J. Med. Chem., 38, 1942 (1995),
- Molina, M.A., et al.: Clin. Cancer Res., 8, 347 (2002),
- Moss, M.L., et al.: Biochemistry, 43, 7227 (2004),
