Afeletecan Hydrochloride
Grundinformationen
- CAS
215604-74-3- Standard-SMILES
CC[C@@]1(OC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=S)Nc2ccc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]3O)cc2)C(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl- InChIKey
XQWYWSHYKUJQDC-NZGUGFNHSA-N- Summenformel
- C45H50ClN7O11S
- Durchschnittliche Molmasse
- 932,4 g/mol
- Monoisotopische Masse
- 931,2977543
Überblick
Afeletecan Hydrochloride is the hydrochloride salt form of afeletecan, a water-soluble camptothecin derivative conjugated to a carbohydrate moiety exhibiting antineoplastic activity. Afeletecan stabilizes the topoisomerase I-DNA covalent complex and forms an enzyme-drug-DNA ternary complex. As a consequence of the formation of this complex, both the initial cleavage reaction and religation steps are inhibited and subsequent collision of the replication fork with the cleaved strand of DNA results in inhibition of DNA replication, double strand DNA breakage and triggering of apoptosis. The peptide carbohydrate moiety of this agent stabilizes the lactone form of camptothecin in blood.
Namen und Bezeichner
- Bevorzugter Name
- Afeletecan Hydrochloride
- IUPAC
- [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[[(2S)-2-[[4-[(2R,3S,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxyphenyl]carbamothioylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoate;hydrochloride
- Englischer Name
- L-Valine, N-[[[4-[(6-deoxy-3-O-methyl-b-L-galactopyranosyl)oxy]phenyl]amino]thioxomethyl]-L-histidyl-, (4S)-4-ethyl-3,4,12,14-tetrahydro-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl e ster
- Summenformel
- C45H50ClN7O11S
- Molmasse
- 932.4368
Namen und Synonyme
Afeletecan hydrochloride215604-74-3BAY 56-3722DTJ7VPW43JBAY-563722BAY56-3722BAY 38-3441L-Valine, N-(((4-((6-deoxy-3-O-methyl-beta-L-galactopyranosyl)oxy)phenyl)amino)thioxomethyl)-L-histidyl-, (4S)-4-ethyl-3,4,12,14-tetrahydro-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-4-yl ester, hydrochloride (1:1)L-Valine, N-(((4-((6-deoxy-3-O-methyl-beta-L-galactopyranosyl)oxy)phenyl)amino)thioxomethyl)-L-histidyl-, (4S)-4-ethyl-3,4,12,14-tetrahydro-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-4-yl ester, monohydrochlorideRefChem:109999BAY383441BAY 383441
Weitere Namen anzeigen
BAY 38-3441 free baseBAY 56-3722 hydrochlorideL-Valine, N-[[[4-[(6-deoxy-3-O-methyl-b-L-galactopyranosyl)oxy]phenyl]amino]thioxomethyl]-L-histidyl-, (4S)-4-ethyl-3,4,12,14-tetrahydro-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl e ster
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 268 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 65
- Formalladung
- 0
- Komplexität
- 1.840
Chemie und Industrie
Anbieter3 Anbieter
BOC Sciences16314854226; +8616314854226 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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