环孢素A搜索结果

Search Overview Page 1 Search: search2 Date/Time done: Wed Jul 28 11:48:16 2010 Database(s): CSD version 5.22 (October 2001) CSD version 5.31 updates (Nov 2009) CSD version 5.31 updates (Feb 2010) CSD version 5.31 updates (May 2010) CSD version 5.30 updates (Feb 2009) CSD version 5.30 updates (Sep 2009) CSD version 5.29 updates (Jan 2008) CSD version 5.29 updates (Aug 2008) CSD version 5.28 updates (Jan 2007) CSD version 5.28 updates (May 2007) CSD version 5.28 updates (Aug 2007) CSD version 5.27 updates (Jan 2006) CSD version 5.27 updates (May 2006) CSD version 5.27 updates (Aug 2006) CSD version 5.26 updates (Feb 2005) CSD version 5.26 updates (May 2005) CSD version 5.26 updates (Aug 2005) CSD version 5.25 updates (Jan 2004) CSD version 5.25 updates (Apr 2004) CSD version 5.25 updates (Jul 2004) CSD version 5.24 updates (Feb 2003) CSD version 5.24 updates (Apr 2003) CSD version 5.24 updates (Jul 2003) CSD version 5.23 updates (May 2002) CSD version 5.23 updates (Jul 2002) CSD version 5.23 updates (Sep 2002) Restriction Info: No refcode restrictions applied Filters: None Percentage Completed: 100% Number of Hits: 14 Single query used. Search found structures that: match Query 3 Query 3 Name cyclosporin A Search search2 (Wed Jul 28 11:48:16 2010): Hits 1-4 Page 2 CUQRUB Reference: B.Kratochvil, A.Jegorov, S.Pakhomova, M.Husak, P.Bulej, L.Cvak, P.Sedmera, V.Havlicek (1999) Collect.Czech.Chem.Commun.,64,89 Formula: C64 H113 N11 O13 Compound Name: O-Acetyl-(4R)-4-(E-2-butenyl)-4,N-dimethyl-L-threonylcyclosporin A Synonym: PEPSEQ C=11 ALA-ALA-LEU-LEU-VAL-THR-ALA-SAR-LEU-VAL-LEU- Space Group: P212121 Cell: a 12.936(2) b 15.590(2) c 36.280(3) Space Group No.: 19 (Å,°) a 90.00 b 90.00 g 90.00 R-Factor (%): 7.58 Temperature(K): 295 Density(g/cm3): 1.13 N CH3 O NH OO CH3 COMe N iPr EtCH3 N O O C3H CH3 N C3H rPi N O O CH3 NC3H rPi NH O iPr O NH CH3 iPr N OO CH3 NH CH3 O rPi CUQSAI Reference: B.Kratochvil, A.Jegorov, S.Pakhomova, M.Husak, P.Bulej, L.Cvak, P.Sedmera, V.Havlicek (1999) Collect.Czech.Chem.Commun.,64,89 Formula: C64 H112 Br1 N11 O13 Compound Name: O-Acetyl-(4R)-4-(4-bromobutyl)-4,N-dimethyl-L-threonylcyclosporin A Synonym: PEPSEQ C=11 ALA-ALA-LEU-LEU-VAL-THR-ALA-SAR-LEU-VAL-LEU- Space Group: P212121 Cell: a 12.916(3) b 15.675(4) c 36.715(7) Space Group No.: 19 (Å,°) a 90.00 b 90.00 g 90.00 R-Factor (%): 9.37 Temperature(K): 295 Density(g/cm3): 1.183 N CH3 O NH OO CH3 COMe N iPr EtCH3 N O O CH3 N Br C3H rPi N O O CH3 NC3H rPi NH O iPr O NH CH3 iPr N OO CH3 NH CH3 O rPi DEKSAN Reference: H.-R.Loosli, H.Kessler, H.Oschkinat, H.-P.Weber, T.J.Petcher, A.Widmer (1985) Helv.Chim.Acta,68,682 Formula: C62 H111 N11 O12 Compound Name: Cyclosporin A Synonym: PEPSEQ C=11 ALA-ALA-LEU-LEU-VAL-THR-ALA-SAR-LEU-VAL-LEU- Space Group: P41 Cell: a 13.837(2) b 13.837(2) c 41.242(3) Space Group No.: 76 (Å,°) a 90.00 b 90.00 g 90.00 R-Factor (%): 11.4 Temperature(K): 295 Density(g/cm3): 1.012 N CH3 NH O OH O CH3 N EtCH3 CH3C3H N O O CH3 C3H N CH2 C3H N O O CH3C3H C3H N CH2 CH2 C3H NH O O C3H C3H C3H CH3 NH C3H N O C3H CH3 O CH3 NH CH3 CH2 O C3H CH3 HUCVOQ Reference: M.Husak, B.Kratochvil, I.Cisarova, A.Jegorov (2000) Collect.Czech.Chem.Commun.,65,1950 Formula: C62 H113 N11 O12,2(C5 H12 O1) Compound Name: Dihydrocyclosporin A t-butyl methyl ether clathrate Synonym: PEPSEQ C=11 ALA-ALA-LEU-LEU-VAL-THR-ALA-SAR-LEU-VAL-LEU- Space Group: P21 Cell: a 15.291(0) b 21.376(0) c 12.766(0) Space Group No.: 4 (Å,°) a 90.00 b 96.73(0) g 90.00 R-Factor (%): 5.75 Temperature(K): 150 Density(g/cm3): 1.107 N CH3 NH O OH O CH3 N CH3 CH3C3H N O CH3 O CH3 C3H N CH2 C3H N O O CH3C3H CH3 N CH2 CH2 C3H NH O O C3H C3H CH3C3H NH CH3 N O CH3C3H O CH3 NH CH3 CH2O CH3C3H OuBt CH3 Search search2 (Wed Jul 28 11:48:16 2010): Hits 5-8 Page 3 ICYSPA Reference: T.J.Petcher, H.-P.Weber, A.Ruegger (1976) Helv.Chim.Acta,59,1480 Formula: C62 H110 I1 N11 O12 Compound Name: Iodo-cyclosporin A Synonym: PEPSEQ C=11 ALA-ALA-LEU-LEU-VAL-THR-ALA-SAR-LEU-VAL-LEU- Space Group: P21 Cell: a 10.475(5) b 19.600(10) c 21.050(10) Space Group No.: 4 (Å,°) a 90.00 b 99.35(2) g 90.00 R-Factor (%): 13.5 Temperature(K): 295 Density(g/cm3): 1.035 N O CH3 NH O C3H O N iPrEt I C3H CH3 N O O CH2 CH3 N CH2 CH3 iPr N O OC3H N CH2CH2 CH3 iPr NH O rPi O NH CH3 rPi N O OCH3 NH CH3CH2 O iPr JOKMAX Reference: D.Seebach, Soo Y.Ko, H.Kessler, M.Kock, M.Reggelin, P.Schmieder, M.D.Walkinshaw, J.J.Bolsterli (1991) Helv.Chim.Acta, 74,1953 Formula: C62 H111 N11 O10 S2,C4 H10 O1 Compound Name: (4y5,CS-NH;7y8,CS-NH)Cyclosporin A diethyl ether solvate Synonym: PEPSEQ C=11 ALA-ALA-LEU-LEU-VAL-SER-ALA-SAR-LEU-VAL-LEU- Space Group: P21 Cell: a 15.636(2) b 21.030(5) c 12.857(2) Space Group No.: 4 (Å,°) a 90.00 b 101.09(1) g 90.00 R-Factor (%): 7.47 Temperature(K): 295 Density(g/cm3): 1.048 N CH3 NH O OH O CH3 N iPr EtCH3 N O O CH3 C3H N CH2 C3H iPr N OO CH3 N CH2 CH2 C3H rPi NH S iPr O NH CH3 iPr N OS CH3 NH CH3 CH2O iPr OtE Et KEPNAU Reference: R.B.Knott, J.Schefer, B.P.Schoenborn (1990) Acta Crystallogr.,Sect.C(Cr.Str.Comm.),46,1528 Formula: C62 H111 N11 O12,H2 O1 Compound Name: Cyclosporin A monohydrate Synonym: PEPSEQ C=11 ALA-ALA-LEU-LEU-VAL-THR-ALA-SAR-LEU-VAL-LEU- Space Group: P212121 Cell: a 12.674(1) b 15.684(2) c 36.304(30) Space Group No.: 19 (Å,°) a 90.00 b 90.00 g 90.00 R-Factor (%): 3.4 Temperature(K): 295 Density(g/cm3): 1.124 N CH3 NH O OH O CH3 N CH3 CH3C3H N O CH3 O CH3 C3H N CH2 C3H N O O CH3C3H CH3 N CH2 CH2 C3H NH O O C3H C3H CH3C3H NH CH3 N O CH3C3H O CH3 NH CH3 CH2O CH3C3H H2O NAMPIA Reference: E.Pohl, G.M.Sheldrick, J.J.Bolsterli, J.Kallen, R.Traber, M.D.Walkinshaw (1996) Helv.Chim.Acta,79,1635 Formula: C62 H111 N11 O12,2(C3 H6 O1) Compound Name: Isocyclosporin A acetone solvate Synonym: PEPSEQ C=11 ALA-ALA-SAR-LEU-VAL-LEU-ALA-ALA-LEU-LEU-VAL, Space Group: C2221 Cell: a 26.684(7) b 26.936(3) c 28.549(7) Space Group No.: 20 (Å,°) a 90.00 b 90.00 g 90.00 R-Factor (%): 10.97 Temperature(K): 193 Density(g/cm3): 0.854 N CH2CH3 N O iPr O CH3 N CH2 iPr CH3 iPr O O O NH CH3 NH CH3 O NH O CH3 NH C3H Et CH3O N O N CH2 CH3 C3HiPr O N O NH iPr CH3CH2O iPr COMeC3H Search search2 (Wed Jul 28 11:48:16 2010): Hits 9-12 Page 4 TECRIC Reference: M.Husak, B.Kratochvil, A.Jegorov, V.Mat'ha, M.Stuchlik, T.Andrysek (1996) Z.Kristallogr.,211,313 Formula: C62 H111 N11 O12,C8 H14 O4 Compound Name: Cyclosporin A dimethylisosorbide solvate Synonym: PEPSEQ C=11 ALA-ALA-LEU-LEU-VAL-THR-ALA-SAR-LEU-VAL-LEU- Space Group: P21 Cell: a 15.521(2) b 20.833(3) c 12.949(3) Space Group No.: 4 (Å,°) a 90.00 b 100.21(1) g 90.00 R-Factor (%): 9.1 Temperature(K): 295 Density(g/cm3): 1.11 N CH3 NH O OH O CH3 N CH3 CH3C3H N O CH3 O CH3 C3H N CH2 C3H N O O CH3C3H CH3 N CH2 CH2 C3H NH O O C3H C3H CH3C3H NH CH3 N O CH3C3H O CH3 NH CH3 CH2O CH3C3HO O O O C3H CH3 ZAJDUJ Reference: M.K.Eberle, F.Nuninger, H.-P.Webe (1995) J.Org.Chem., 60,2610 Formula: C64 H113 N11 O12 S1 Compound Name: Sulfhydryl cyclosporin A Synonym: PEPSEQ C=11 ALA-ALA-LEU-LEU-VAL-SAR-ALA-SAR-LEU-VAL-LEU- Space Group: P212121 Cell: a 13.125(10) b 15.563(10) c 36.189(10) Space Group No.: 19 (Å,°) a 90.00 b 90.00 g 90.00 R-Factor (%): 9.54 Temperature(K): 295 Density(g/cm3): 1.133 N CH3 S NH O O CH3 OCeM N EtCH3 C3H CH3 N O O C3H CH3 N CH2 C3H N O O C3H CH3 C3H N CH2 CH2 C3H NH O O C3H C3H CH3C3H NH C3H N O CH3C3H O CH3 NH CH3 CH2 O CH3C3H KADFOL Reference: A.Jegorov, M.Husak, B.Kratochvil, I.Cisarova (2003) Crystal Growth and Design,3,441 Formula: C62 H111 N11 O12,2(C3 H6 O1),H2 O1 Compound Name: Cyclosporin A acetone monohydrate clathrate Synonym: PEPSEQ C=11 ALA-ALA-LEU-LEU-VAL-GLY-GLY-SAR-LEU-VAL-LEU- Space Group: P41 Cell: a 13.754(0) b 13.754(0) c 40.978(0) Space Group No.: 76 (Å,°) a 90.00 b 90.00 g 90.00 R-Factor (%): 7.83 Temperature(K): 150 Density(g/cm3): 1.146 N CH3 NH O OH O CH3 N EtCH3 CH3C3H N O O CH3 C3H N CH2 C3H N O O CH3C3H C3H N CH2 CH2 C3H NH O O C3H C3H C3H CH3 NH C3H N O C3H CH3 O CH3 NH CH3 CH2 O C3H CH3 COMeC3H H2O LOWGOT Reference: A.Jegorov, S.Pakhomova, M.Husak, B.Kratochvil, Z.Zak, L.Cvak, M.Buchta (2000) J.Inclusion Phenom.Macrocyclic Chem.,37, 137 Formula: C62 H111 N11 O12,C4 H8 O1 Compound Name: Cyclosporin A tetrahydrofuran clathrate Synonym: PEPSEQ C=11 ALA-ALA-LEU-LEU-VAL-THR-GLY-SAR-LEU-VAL-LEU- Space Group: P21 Cell: a 15.551(5) b 21.216(2) c 12.862(7) Space Group No.: 4 (Å,°) a 90.00 b 98.23(1) g 90.00 R-Factor (%): 8.5 Temperature(K): 295 Density(g/cm3): 1.008 N CH3 NH O OH O CH3 N EtCH3 CH3C3H N O O CH3 C3H N CH2 C3H N O O CH3C3H C3H N CH2 CH2 C3H NH O O C3H C3H C3H CH3 NH C3H N O C3H CH3 O CH3 NH CH3 CH2 O C3H CH3 O Search search2 (Wed Jul 28 11:48:16 2010): Hits 13-14 Page 5 LOWHAG Reference: A.Jegorov, S.Pakhomova, M.Husak, B.Kratochvil, Z.Zak, L.Cvak, M.Buchta (2000) J.Inclusion Phenom.Macrocyclic Chem.,37, 137 Formula: C62 H111 N11 O12,C8 H18 O1 Compound Name: Cyclosporin A di-n-butyl ether clathrate Synonym: PEPSEQ C=11 ALA-ALA-LEU-LEU-VAL-THR-GLY-SAR-LEU-VAL-LEU- Space Group: P21 Cell: a 15.372(10) b 20.910(4) c 12.496(6) Space Group No.: 4 (Å,°) a 90.00 b 99.44(3) g 90.00 R-Factor (%): 5.6 Temperature(K): 150 Density(g/cm3): 1.117 N CH3 NH O OH O CH3 N EtCH3 CH3C3H N O O CH3 C3H N CH2 C3H N O O CH3C3H C3H N CH2 CH2 C3H NH O O C3H C3H C3H CH3 NH C3H N O C3H CH3 O CH3 NH CH3 CH2 O C3H CH3 O EttE LOWHAG01 Reference: A.Jegorov, S.Pakhomova, M.Husak, B.Kratochvil, Z.Zak, L.Cvak, M.Buchta (2000) J.Inclusion Phenom.Macrocyclic Chem.,37, 137 Formula: C62 H111 N11 O12,C8 H18 O1 Compound Name: Cyclosporin A di-n-butyl ether clathrate Synonym: PEPSEQ C=11 ALA-ALA-LEU-LEU-VAL-THR-GLY-SAR-LEU-VAL-LEU- Space Group: P21 Cell: a 15.472(10) b 21.115(5) c 12.843(7) Space Group No.: 4 (Å,°) a 90.00 b 98.96(4) g 90.00 R-Factor (%): 9.1 Temperature(K): 295 Density(g/cm3): 1.068 N CH3 NH O OH O CH3 N EtCH3 CH3C3H N O O CH3 C3H N CH2 C3H N O O CH3C3H C3H N CH2 CH2 C3H NH O O C3H C3H C3H CH3 NH C3H N O C3H CH3 O CH3 NH CH3 CH2 O C3H CH3 O EttE Search Overview Hits 1-4 Hits 5-8 Hits 9-12 Hits 13-14