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Substance Name: KRN5500
RN: 151276-95-8
UNII: 8VH13L5K20
InChIKey: LQIPDFIUPOYMPR-BKYURJJWSA-N

Note

  • A derivative of spicamycin with a wide range of antitumor activity against human cancer cell lines.

Molecular Formula

  • C28-H43-N7-O7

Molecular Weight

  • 589.69
 

Classification Codes

  • Antineoplastic Agents
  • Antitumor Agent
  • Enzyme Inhibitors
  • Protein Synthesis Inhibitors
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Names and Synonyms

Results Name

  • KRN5500

Name of Substance

  • KRN 5500

Synonyms

  • KRN 5500
  • NSC 650426
  • UNII-8VH13L5K20

Systematic Names

  • L-glycero-beta-L-manno-Heptopyranosylamine, 4-deoxy-4-(((((2E,4E)-1-oxo-2,4-tetradecadienyl)amino)acetyl)amino)-N-1H-purin-6-yl-
  • L-glycero-beta-L-manno-Heptopyranosylamine, 4-deoxy-4-((((1-oxo-2,4-tetradecadienyl)amino)acetyl)amino)-N-1H-purin-6-yl-, (E,E)-

Registry Numbers

CAS Registry Number

  • 151276-95-8

FDA UNII

  • 8VH13L5K20

System Generated Number

  • 0151276958

Structure Descriptors

InChI

1S/C28H43N7O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(38)29-14-20(39)34-21-23(40)24(41)28(42-25(21)18(37)15-36)35-27-22-26(31-16-30-22)32-17-33-27/h10-13,16-18,21,23-25,28,36-37,40-41H,2-9,14-15H2,1H3,(H,29,38)(H,34,39)(H2,30,31,32,33,35)/b11-10+,13-12+/t18-,21+,23+,24+,25-,28-/m0/s1

InChIKey

LQIPDFIUPOYMPR-BKYURJJWSA-N

Smiles

c1(ncnc2c1[nH]cn2)N[C@@H]1[C@H](O)[C@@H]([C@@H](NC(CNC(\C=C\C=C\CCCCCCCCC)=O)=O)[C@@H](O1)[C@H](CO)O)O