Cyclosporine
CAS Number: 59865-13-3
Molecular Mass: 1202.6 g/mol
Formula: C62H111N11O12
Smiles: C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)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
Synonymes:
Cyclosporine, cyclosporin A, Ciclosporin, cyclosporine, 59865-13-3, Sandimmune, Neoral, Sandimmun, Cyclosporine A, Ciclosporine, Neoplanta, Equoral, Gengraf, Ciclosporina, Ciclosporinum, Sang-35, Ciclosporin A, Sandimmun Neoral, Zinograf ME, Consupren, Mitogard, Optimmune, Atopica, SangCyA, NeuroSTAT, Restasis, S-Neoral, Cipol N, VEVYE, Sang 35, Ikervis, ANTIBIOTIC S-7481F1, DTXSID0020365, Cyclosporine microemulsion, Antibiotic S 7481F1, 83HN0GTJ6D, SDZ-OXL-400, CEQUA, VERKAZIA, CHEBI:4031, OL 27-400, OL-27-400, NSC-290193, S 7481F1, DTXCID00365, (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone, (R-(R*,R*-(E)))-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl), Cyclo(((E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl)-L-2-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl), CsANeoral, NSC290193, CsA Neoral, CyA NOF, CyA-NOF, Cyclavance, Capimune, Capsorin, Deximune, Sporimune, Vanquoral, Atopica for Cats, Modulis for Cats, Modulis for Dogs, 1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane, cyclic peptide deriv., Restasis MultiDose, (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((E,1R,2R)-1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone, (R-[R*,R*-(E)])-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl), Cyclo[[(E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl]-L-2-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl], Optimmune Ophthalmic, Cyclosporine Modified, OL 27400, CycloSPORINE, Modfied, OL 27 400, RefChem:919442, Cyclosporine/Chondroitin PF, cyclosporine ophthalmic solution, L04AD01, S01XA18, Cyclosporine/Chondroitin Sulfate PF, 30-ethyl-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone, 611-907-1, cyclo(-((2S,3R,4R,6E)-3-Hydroxy-4-methyl-2-methylaminooct-6-enoyl)-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-), 30-ethyl-33-((E)-1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone, Cyclosporin, Ramihyphin A, MFCD00274558, CSA, Ciclosporin [INN], MLS001333756, Sigmasporin Microoral, Papilock Mini, SDZ-OXL 400, Abrammune, Imusporin, Seciera, Vekacia, Arpimune ME, Sandimmune Neoral, Ciclosporina Germed, Cyclosporine, Ciclosporin, (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone, CYA, SMR000058578, Cicloral (antibiotic), Cyclosporine [USAN], Debio088, Cyclosporine [USAN:USP], UNII-83HN0GTJ6D, Ciclosporine [INN-French], Ciclosporinum [INN-Latin], Ciclosporina [INN-Spanish], Sigmasporin, Cyclokat, Papilock, Pulminiq, Zyclorin, CicloMulsion, Cyclosporine, , Ciclosporin, , CCRIS 1590, Sandimmun, , Ciclosporin DT, Cyclorin, , Ciclosporin CRS, Consupren S, Modusik-A, Neoral, , HSDB 6881, Ramihyphin A, , 1cyn, 2wfj, 4jjm, Cipol-N, ,32-undecaone, NCGC00016890-01, DRG-0275, Prestwick_731, CAS-59865-13-3, NSC 290193, CsA & IFN.alpha., Cyclosporine/Ciclosporin, 1c5f, 2z6w, Cyclosporine manufacturer, Prestwick2_000435, Prestwick3_000435, CICLOSPORIN [JAN], Cyclosporin A (Standard), CHEMBL160, Epitope ID:451241, Sang-2000, CYCLOSPORINE [HSDB], CYCLOSPORINE [IARC], CYCLOSPORIN A [MI], SCHEMBL4442, CICLOSPORIN [MART.], CYCLOSPORINE [VANDF], Nova-22007, BSPBio_000450, CICLOSPORIN [WHO-DD], CICLOSPORIN [WHO-IP], Cyclosporin A & IFN.alpha., MLS000028376, MLS002153454, MLS002207033, CYCLOSPORINE [USP-RS], BPBio1_000496, GTPL1024, orb1310145, orb3141206, CHEBI:92233, HY-B0579R, ATH-002, CYCLOSPORINE [GREEN BOOK], OLO-400, CB-01-09 MMX, CICLOSPORIN [EP MONOGRAPH], CYCLOSPORINE [ORANGE BOOK], GLXC-04692, GLXC-06801, HMS1569G12, HMS2089A09, HMS2096G12, HMS2230M14, HMS3713G12, Cyclosporin A - Bio-X trade mark, CYCLOSPORINE [USP IMPURITY], 1,11-cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(E)-(2S,3R,4R)-2-amino-3-hydroxy-N,4-dimethyloct-6-enoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucine], 30-Ethyl-33-(1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone, 30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone, 30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone, Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-((3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl)-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methylleucyl), EX-A4110, HY-B0579, MSK10250, CYCLOSPORINE [USP MONOGRAPH], Tox21_110667, Tox21_301849, BDBM50022815, CICLOSPORINUM [WHO-IP LATIN], DE-076, EBC-27538, ST-603, Cyclosporin A, >=98.5% (TLC), AKOS015969287, AKOS015994720, Tox21_110667_1, CCG-208184, DB00091, FC20749, KS-1257, SDCCGSBI-0050230.P004, NCGC00093704-12, NCGC00164258-01, NCGC00164258-02, NCGC00164258-03, NCGC00255232-01, (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone, BC164336, BP-28432, Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-((3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methylleucyl), OL-27400, SY012000, SBI-0050230.P003, C2408, M01532, Cyclosporin A, VETRANAL(TM), analytical standard, Q367700, SR-01000780563, SR-01000780563-3, BRD-K03222093-001-01-8, BRD-K13533483-001-03-0, Ciclosporin, European Pharmacopoeia (EP) Reference Standard, -undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29, Cyclosporin A, from Tolypocladium inflatum, >=95% (HPLC), solid, Cyclosporine, United States Pharmacopeia (USP) Reference Standard, Ciclosporin for system suitability, European Pharmacopoeia (EP) Reference Standard, Cyclosporin A, from Tolypocladium inflatum, BioReagent, for molecular biology, >=95%, Cyclosporine, Pharmaceutical Secondary Standard, Certified Reference Material, (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31, (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone, (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,2, (R-(R*,R*-(E)))-CYCLIC(L-ALANYL-D-ALANYL-N-METHYL-L-LEUCYL-N-METHYL-L-LEUCYL-N-METHYL-L-VALYL-3-HYDROXY-N,4-DIMETHYL-L-2-AMINO-6-OCTENOYL-L-.ALPHA.-AMINOBUTYRYL-N-METHYLGLYCYL-N-METHYL-L-LEUCYL-L-VALYL-N-METHYL-L-LEUCYL), 104250-72-8, 30-Ethyl-33-((E)-1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Diethylene Glycol Monoethyl Ether | 298.15 | - | 2500.0 | [475] |
| Water | 298.15 | - | 0.02855 | [475] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 23339.6614 |
| PMI2 | 38052.4587 |
| PMI3 | 53544.4935 |
| NPR1 | 0.4359 |
| NPR2 | 0.7107 |
| RadiusOfGyration | 6.9127 |
| InertialShapeFactor | 0.0000 |
| Eccentricity | 0.9000 |
| Asphericity | 0.2072 |
| SpherocityIndex | 0.2423 |
| PBF | 1.7107 |