Name: KRN 5500
Rating: 5 (10 reviews)

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HIT ID:HIT212713001
Cas No:151276-95-8
常用名:KRN 5500
别名:SPK-241, SPK241, NSC-650426, NSC650426, KRN-5500, KRN5500
别名:SPK-241, SPK241, NSC-650426, NSC650426, KRN-5500, KRN5500
IUPAC:(2E,4E)-N-({[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-[(7H-purin-6-yl)amino]oxan-3-yl]carbamoyl}methyl)tetradeca-2,4-dienamide
IUPAC:(2E,4E)-N-({[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-[(7H-purin-6-yl)amino]oxan-3-yl]carbamoyl}methyl)tetradeca-2,4-dienamide
InChI key:LQIPDFIUPOYMPR-BKYURJJWSA-N

分子式:C28H43N7O7
分子量:589.694
氢键供体数 (HBD):8
氢键受体数 (HBA):11
LogP:0.51731133
SMILES:CCCCCCCCC\C=C\C=C\C(=O)NCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](Nc2ncnc3nc[nH]c23)O[C@H]1[C@@H](O)CO
SMILES:CCCCCCCCC\C=C\C=C\C(=O)NCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](Nc2ncnc3nc[nH]c23)O[C@H]1[C@@H](O)CO

KRN 5500, a derivative of the nucleoside antibiotic spicamycin, has a wide range of antitumor activity against human cancer cell lines.

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