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85547-22-4 | Aaptamine
CAS No: 85547-22-4 Catalog No: AG004R2U MDL No:MFCD01662128
Product Description
Catalog Number:
AG004R2U
Chemical Name:
Aaptamine
CAS Number:
85547-22-4
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD01662128
IUPAC Name:
11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),7,9,11-hexaene
InChI:
InChI=1S/C13H12N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h3-7,14H,1-2H3
InChI Key:
UERYGOYPBXIFQV-UHFFFAOYSA-N
SMILES:
COc1cc2ccnc3c2c(c1OC)[nH]cc3
UNII:
FGW9D01COE
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Suberitine A-D, four new cytotoxic dimeric aaptamine alkaloids from the marine sponge Aaptos suberitoides. | Organic letters 20120420 |
| Proteomic profiling of germ cell cancer cells treated with aaptamine, a marine alkaloid with antiproliferative activity. | Journal of proteome research 20120406 |
| Discovery of 1-arylcarbonyl-6,7-dimethoxyisoquinoline derivatives as glutamine fructose-6-phosphate amidotransferase (GFAT) inhibitors. | Bioorganic & medicinal chemistry letters 20111101 |
| Antiproliferative effect of aaptamine on human chronic myeloid leukemia K562 cells. | International journal of molecular sciences 20110101 |
| Cytotoxic aaptamines from Malaysian Aaptos aaptos. | Marine drugs 20090301 |
| Antiviral and anticancer optimization studies of the DNA-binding marine natural product aaptamine. | Chemical biology & drug design 20080301 |
| Aaptamines as sortase A inhibitors from the tropical sponge Aaptos aaptos. | Bioorganic & medicinal chemistry letters 20071001 |
| Discovering new inhibitors of bacterial glucosamine-6P synthase (GlmS) by docking simulations. | Bioorganic & medicinal chemistry letters 20070401 |
| Aaptamine, a spongean alkaloid, activates p21 promoter in a p53-independent manner. | Biochemical and biophysical research communications 20060331 |
| Antineoplastic agents 491. Synthetic conversion of aaptamine to isoaaptamine, 9-demethylaaptamine, and 4-methylaaptamine. | The Journal of organic chemistry 20040402 |
| Antineoplastic agents. 499. Synthesis of hystatin 2 and related 1H-benzo[de][1,6]-naphthyridinium salts from aaptamine. | Journal of medicinal chemistry 20040325 |
| Marine natural products as novel antioxidant prototypes. | Journal of natural products 20030501 |
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