Colistin A
Grundinformationen
- CAS
7722-44-3- Standard-SMILES
CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O- InChIKey
XDJYMJULXQKGMM-HHAJOKTESA-N- Summenformel
- C53H100N16O13
- Durchschnittliche Molmasse
- 1.169,5 g/mol
- Monoisotopische Masse
- 1.168,76557731
Namen und Bezeichner
- Bevorzugter Name
- Colistin A
- IUPAC
- (6S)-N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide
- Englischer Name
- N2-(6-Methyloctanoyl-L-A2bu-L-Thr-L-A2bu-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Leu-L-A2bu-L-A2bu-L-Thr-)
- Summenformel
- C53H100N16O13
- Molmasse
- 1169.46
Namen und Synonyme
Colistin A7722-44-3UNII-500HI50Z9HDTXSID5049079500HI50Z9HCOLISTIN A [MI]BRN 0604503COLISTIN A [WHO-DD]DTXCID001030474L-Threonine, N2-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-leucyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-, cyclic (10-4)-peptideCHEBI:59064RefChem:127449
Weitere Namen anzeigen
Polymyxin E1Polymixin E1Colistin A-d5 DiscontinuedXQKABMNFUQVRFN-SADGAIANSA-NColistin A PentafluoroacetatePolymyxin E1-[13C6,15N] TFA saltColistin A-d7 Pentatrifluoroacetate (Polymyxin E1-d7 Pentatrifluoroacetate)N2-(6-Methyloctanoyl-L-A2bu-L-Thr-L-A2bu-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Leu-L-A2bu-L-A2bu-L-Thr-)
4,10-anhydro(N-((6R)-6-methyloctanoyl)-L-2,4-diaminobutanoyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-leucyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-threonine)4,10-anhydro{N-[(6R)-6-methyloctanoyl]-L-2,4-diaminobutanoyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-leucyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-threonine}Colistin IVXDJYMJULXQKGMM-MUWNDXGHSA-NColistin A sulfate hydrateCHEMBL3781027Colistin A Sulfate Hydrate (~90%)(6S)-N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,8
- Polarare Oberfläche (TPSA)
- 491 Ų
- H-Brücken-Donoren
- 18
- H-Brücken-Akzeptoren
- 18
- Frei drehbare Bindungen
- 29
- Schwere Atome
- 82
- Formalladung
- 0
- Komplexität
- 2.070
Physikochemische Eigenschaften
- Siedepunkt
- 1536.8 · 1536.8±65.0 °C(Predicted)
- Dichte
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- Löslichkeit
- Methanol (Very Slightly), Water (Slightly)
- Aggregatzustand
- Solid
- pka
- 13.08 · 13.08±0.70(Predicted)
- Farbe
- White to Pale Beige
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationVeterinary Drug -> ANTIMICROBIAL_AGENT -> JECFA Functional Classes
Anwendungen
VerwendenColistin A is used as an antibiotic in the treatment of infectious diseases resulting from multi-drug resistant (MDR) gram-negative bacteria.
Ergänzende Hinweise
DefinitionChEBI: A polymyxin having a (6R)-6-methyloctanoyl group at the amino terminus.
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