Valspodar, also known as PSC-833, is an analogue of cyclosporin-A. Valspodar inhibits p-glycoprotein, the multidrug resistance efflux pump, thereby restoring the retention and activity of some drugs in some drug-resistant tumor cells. This agent also induces caspase-mediated apoptosis. Valspodar
CAS 121584-18-7 MFCD21584187
化学结构图
SMILES: C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C
化学属性
| Mol. Weight | 1214.62 |
|---|---|
| Mol. Formula | C63H111N11O12 |
| Appearance | White to beige solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| CAS Number | 121584-18-7 |
|---|---|
| Chemical Name | Valspodar, also known as PSC-833, is an analogue of cyclosporin-A. Valspodar inhibits p-glycoprotein, the multidrug resistance efflux pump, thereby restoring the retention and activity of some drugs in some drug-resistant tumor cells. This agent also induces caspase-mediated apoptosis. |
| Synonym | ######## 3'-keto-Bmt(1)-Val(2)-cyclosporin A PSC 833 PSC-833 PSC833 PSC833; PSC833; PSC833; SDZ PSC 833; Sdz-psc-833; Valspodar SDZ PSC 833 SDZ-PSC-833 valspodar |
| Chemical Name Translation | Valspodar |
| PubChem Substance ID | 5281884 |
| InChI | InChI=1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+/m1/s1 |
| LabNetwork Molecule ID | LN02125450 |
| InChIKey | YJDYDFNKCBANTM-QCWCSKBGSA-N |
| Formula | C63H111N11O12 |
| IUPAC Name | (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-6,9,18,24-tetraisobutyl-3,21,30-triisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-((R,E)-2-methylhex-4-enoyl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone |
| Canonical SMILES | O=C([C@H](C(C)C)N(C)C([C@H](CC(C)C)N(C)C([C@H](CC(C)C)N(C)C([C@@H](C)NC([C@H](C)NC([C@H](CC(C)C)N(C)C([C@H](C(C)C)NC([C@H](CC(C)C)N(C)C(CN(C)C([C@H](C(C)C)N1)=O)=O)=O)=O)=O)=O)=O)=O)=O)N(C)[C@@H](C([C@H](C)C/C=C/C)=O)C1=O |
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分类
- Peptides
- Pharmaceuticals
- Intermediates & Fine Chemicals,
产品应用
- Valspodar, also known as PSC-833, is an analogue of cyclosporin-A. Valspodar inhibits p-glycoprotein, the multidrug resistance efflux pump, thereby restoring the retention and activity of some drugs in some drug-resistant tumor cells. This agent also induces caspase-mediated apoptosis.
相关文献及参考
- Boesch, D., et al.: exp. Cell Res., 196, 26 (1991),
- Lush, R.M., et al.: J. Clin. Pharmacol., 37, 123 (1997),
- Scott, M.G., et al.: Clin. Chem., 43, 505 (1997),
