FR901465
Grundinformationen
- CAS
146478-73-1- Standard-SMILES
CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@](C)(O)[C@H](O)[C@@]3(CO3)[C@@H]2O)O[C@@H]1C- InChIKey
DQTXAXNYLWRTPB-NTVXLVODSA-N- Summenformel
- C27H41NO9
- Durchschnittliche Molmasse
- 523,6 g/mol
- Monoisotopische Masse
- 523,27813189
Überblick
FR901465 is a spiro-epoxide with potent cytotoxic activity against human tumour cells. It is isolated from Pseudomonas sp. no.2663. It has a role as an antineoplastic agent and a bacterial metabolite. It is a spiro-epoxide, a member of pyrans, a monocarboxylic acid amide, a secondary alcohol, an acetate ester and a cyclic hemiketal.
Namen und Bezeichner
- Bevorzugter Name
- FR901465
- IUPAC
- [(Z,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(3R,4R,5S,7R,8R)-4,5,8-trihydroxy-5-methyl-1,6-dioxaspiro[2.5]octan-7-yl]penta-2,4-dienyl]oxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate
- Englischer Name
- FR901465
- Summenformel
- C27H41NO9
- Molmasse
- 523.62
Namen und Synonyme
FR901465CHEBI:65916FR 901465(2S,3Z)-5-{[(2R,3R,5S,6S)-2,5-dimethyl-6-{(2E,4E)-3-methyl-5-[(3R,4R,5R,7S,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]penta-2,4-dien-1-yl}tetrahydro-2H-pyran-3-yl]amino}-5-oxopent-3-en-2-yl acetateFR-901465(2S,3Z)-5-(((2R,3R,5S,6S)-2,5-dimethyl-6-((2E,4E)-3-methyl-5-((3R,4R,5R,7S,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro(2.5)oct-5-yl)penta-2,4-dien-1-yl)tetrahydro-2H-pyran-3-yl)amino)-5-oxopent-3-en-2-yl acetateRefChem:921849146478-73-1[(Z,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(3R,4R,5S,7R,8R)-4,5,8-trihydroxy-5-methyl-1,6-dioxaspiro[2.5]octan-7-yl]penta-2,4-dienyl]oxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate[(Z,2S)-4-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(3R,4R,5R,7S,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]octan-5-yl]penta-2,4-dienyl]oxan-3-yl]carbamoyl]but-3-en-2-yl] acetate2-Pentenamide, 4-(acetyloxy)-N-[(2R,3R,5S,6S)-tetrahydro-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(3R,4R,5R,7S,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-2,4-pentadien-1-yl]-2H-pyran-3-yl]-, (2Z,4S)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 147 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 37
- Formalladung
- 0
- Komplexität
- 933
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl amines [FA0802]
Physikochemische Eigenschaften
- Siedepunkt
- 735.6 · 735.6±60.0 °C(Predicted)
- Dichte
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 12.43 · 12.43±0.70(Predicted)
Chemie und Industrie
Ergänzende Hinweise
DefinitionChEBI: A spiro-epoxide with potent cytotoxic activity against human tumour cells. It is isolated from Pseudomonas sp. no.2663.
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