The structure of a new cyclosporin A solvated form
The structure of cyclosporin A dimethyl isosorbide solvate (C · C , CsA · DMI) was solved using direct methods and refined anisotropically to the value of 0.091 for 7120 observed independent reflections. The title compound crystallizes in the monoclinic space group with lattice parameters = 15.521(2...
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| Published in | Zeitschrift für Kristallographie. Crystalline materials Vol. 211; no. 5; pp. 313 - 318 |
|---|---|
| Format | Journal Article |
| Language | English |
| Published |
De Gruyter Oldenbourg
01.05.1996
|
| Online Access | Get full text |
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| Summary: | The structure of cyclosporin A dimethyl isosorbide solvate (C
· C
, CsA · DMI) was solved using direct methods and refined anisotropically to the
value of 0.091 for 7120 observed independent reflections. The title compound crystallizes in the monoclinic space group
with lattice parameters
= 15.521(2) Å,
= 20.833(3) Å,
= 12.949(3) Å,
= 100.21(1)°,
= 2. In comparison with the structures of CsA monohydrate or dihydrate, the molecular shape of CsA · DMI differs in the backbone conformation (
,
,
) and in the opposite MeBmt
side-chain orientation (
), which permits to form the new H-bond contact MeBmt
OH-Sar
CO. The H-bond contact
-Ala
NH-MeLeu
CO is absent in the structure of CsA · DMI. |
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| ISSN: | 2194-4946 2196-7105 |
| DOI: | 10.1524/zkri.1996.211.5.313 |