Name: Aclacinomycin A hydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT212666910
Cas No:75443-99-1
常用名:Aclacinomycin A hydrochloride
别名:Aclarubicin hydrochloride
IUPAC:methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-4-(dimethylamino)-5-{[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-{[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate hydrochloride
IUPAC:methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-4-(dimethylamino)-5-{[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-{[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate hydrochloride
InChI key:KUSMIBXCRZTVML-PCCPLWKKSA-N

分子式:C42H54ClNO15
分子量:848.34
氢键供体数 (HBD):4
氢键受体数 (HBA):15
LogP:3.9750943
SMILES:Cl.[H][C@@]1(CCC(=O)[C@H](C)O1)O[C@H]1[C@@H](O)C[C@]([H])(O[C@@H]2[C@H](C)O[C@]([H])(C[C@@H]2N(C)C)O[C@H]2C[C@](O)(CC)[C@H](C(=O)OC)c3cc4C(=O)c5cccc(O)c5C(=O)c4c(O)c23)O[C@H]1C
SMILES:Cl.[H][C@@]1(CCC(=O)[C@H](C)O1)O[C@H]1[C@@H](O)C[C@]([H])(O[C@@H]2[C@H](C)O[C@]([H])(C[C@@H]2N(C)C)O[C@H]2C[C@](O)(CC)[C@H](C(=O)OC)c3cc4C(=O)c5cccc(O)c5C(=O)c4c(O)c23)O[C@H]1C

Aclacinomycin A hydrochloride(Aclarubicin HCl)是一种蒽环类抗生素和topoisomerase I/II的抑制剂，干扰DNA转录和复制，抑制肿瘤侵袭和血管生成，生成ROS，抑制20S蛋白酶体催化中心，可用于复发性白血病和晚期恶性淋巴瘤。

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