| Catalog Number |
PR121584529 |
| CAS |
121584-52-9 |
| Description |
Acetyl-cyclosporin A aldehyde is an acetylated Cyclosporin A derivative with a reducing aldehyde group. Cyclosporin A is a potent calmodulin inhibitor and cyclophilin binder that can target the nuclear translocation of NF-AT and cause mitochondrial damage. |
| Synonyms |
6-[(3R,4R)-3-(Acetyloxy)-N,4-dimethyl-6-oxo-L-norleucine] Cyclosporin A |
| IUPAC Name |
[(1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methyl-4-oxobutyl] acetate |
| Molecular Weight |
1232.59 |
| Molecular Formula |
C62H109N11O14 |
| Canonical SMILES |
O=CC[C@@H](C)[C@H]([C@]1([H])N(C([C@@H](N(C([C@@H](N(C([C@@H](N(C([C@H](NC([C@@H](NC([C@@H](N(C([C@@H](NC([C@@H](N(C(CN(C([C@@H](NC1=O)CC)=O)C)=O)C)CC(C)C)=O)C(C)C)=O)C)CC(C)C)=O)C)=O)C)=O)C)CC(C)C)=O)C)CC(C)C)=O)C)C(C)C)=O)C)OC(C)=O |
| InChI |
InChI=1S/C62H109N11O14/c1-25-43-58(82)67(18)32-48(76)68(19)44(28-33(2)3)55(79)66-49(37(10)11)61(85)69(20)45(29-34(4)5)54(78)63-40(15)53(77)64-41(16)57(81)70(21)46(30-35(6)7)59(83)71(22)47(31-36(8)9)60(84)72(23)50(38(12)13)62(86)73(24)51(56(80)65-43)52(87-42(17)75)39(14)26-27-74/h27,33-41,43-47,49-52H,25-26,28-32H2,1-24H3,(H,63,78)(H,64,77)(H,65,80)(H,66,79)/t39-,40+,41-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 |
| InChI Key |
HPSRJUOXPOJSMJ-IBFGMFDFSA-N |
| Shipping |
Generally, shipped at room temperature in continental US; may vary elsewhere. |
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