Name: Alestramustine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212711391
Cas No:139402-18-9
常用名:Alestramustine
IUPAC:(1S,3aS,3bR,9bS,11aS)-7-{[bis(2-chloroethyl)carbamoyl]oxy}-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl (2S)-2-aminopropanoate
IUPAC:(1S,3aS,3bR,9bS,11aS)-7-{[bis(2-chloroethyl)carbamoyl]oxy}-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl (2S)-2-aminopropanoate
InChI key:NRUFLTXGIPFVSH-KBVRNWHJSA-N

分子式:C26H36Cl2N2O4
分子量:511.48
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:5.1848736
SMILES:C[C@H](N)C(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)N(CCCl)CCCl)ccc4[C@H]3CC[C@]12C
SMILES:C[C@H](N)C(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)N(CCCl)CCCl)ccc4[C@H]3CC[C@]12C

Alestramustine is a cytostatic antineoplastic agent. The drug, via its active metabolites, binds to microtubule-associated proteins and β-tubulin and interferes with microtubule function, thereby suppressing cell division. Due to its estrogen moiety, Alestramustine has selectively concentrated in estrogen receptor-positive cells such as the prostate and breast.

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