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β-Rubromycin

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Category Human immunodeficiency Virus (HIV)
CAS 27267-70-5
Description β-Rubromycin is a quinone antibiotic originally isolated from Streptomyces. It is effective against Gram-positive bacteria. It inhibits the growth of HMO2, KATO-III, and MCF-7 cells with GI50 values of 0.5, 0.84, and <0.1 μM, respectively. β-rubromycin also inhibits HIV-1 reverse transcriptase activity.
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Product Information

Synonyms beta-Rubromycin; Methyl-8,10'-dihydroxy-5,7-dimethoxy-4,9,9'-trioxo-4,4',9,9'-tetrahydro-3H,3'H-spirofuran-2,2'-pyranochromene]-7'-carboxylate
IUPAC Name methyl (2S)-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
Molecular Weight 536.44
Molecular Formula C27H20O12
Canonical SMILES COC1=CC(=C(C2=C1C(=O)C3=C(C2=O)OC4(C3)CCC5=C(O4)C(=C6C(=C5)C=C(OC6=O)C(=O)OC)O)O)OC
InChI InChI=1S/C27H20O12/c1-34-13-8-14(35-2)20(29)18-17(13)19(28)12-9-27(39-24(12)22(18)31)5-4-10-6-11-7-15(25(32)36-3)37-26(33)16(11)21(30)23(10)38-27/h6-8,29-30H,4-5,9H2,1-3H3/t27-/m0/s1
InChIKey FXCBZGHGMRSWJD-MHZLTWQESA-N
Boiling Point 874.8°C at 760 mmHg
Melting Point 209-212°C
Flash Point 298.9°C
Purity ≥95%
Density 1.67±0.1 g/cm3
Solubility Soluble in chloroform
Appearance Red Acicular Crystal
Storage Store at -20°C
Index Of Refraction 1.715
PSA 168.03000
Target HIV; Reverse Transcriptase; Antibiotic
Vapor Pressure 2.92E-32mmHg at 25°C

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