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102409-92-7 | 3,9-Epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehyde, 1-acetyl-9-(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-7-methoxy-
CAS No: 102409-92-7 Catalog No: AG0007DO MDL No:
Product Description
Catalog Number:
AG0007DO
Chemical Name:
3,9-Epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehyde, 1-acetyl-9-(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-7-methoxy-
CAS Number:
102409-92-7
Molecular Formula:
C19H21N3O8
Molecular Weight:
419.3853
IUPAC Name:
[11-acetyl-8-(carbamoyloxymethyl)-4-formyl-6-methoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-9-yl] acetate
InChI:
InChI=1S/C19H21N3O8/c1-9(24)22-14-6-21-13-4-11(7-23)5-15(27-3)16(13)12(8-28-18(20)26)19(30-21,17(14)22)29-10(2)25/h4-5,7,12,14,17H,6,8H2,1-3H3,(H2,20,26)
InChI Key:
BUZDGGFWWPZBIN-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OC)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C
Properties
Complexity:
762
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.133g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
419.39g/mol
Monoisotopic Mass:
419.133g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Reactivity of aziridinomitosene derivatives related to FK317 in the presence of protic nucleophiles. | The Journal of organic chemistry 20120120 |
| A synthetic approach toward the proposed tetracyclic aziridinomitosene derived from FK317. | The Journal of organic chemistry 20041015 |
| Interstrand cross-linking of DNA by FK317 and its deacetylated metabolites FR70496 and FR157471. | Biochemistry 20031216 |
| Effects of FK317, a novel anti-cancer agent, on survival of mice bearing B16BL6 melanoma and Lewis lung carcinoma. | Cancer letters 20020708 |
| Differential effects of FR900482 and FK317 on apoptosis, IL-2 gene expression, and induction of vascular leak syndrome. | Chemistry & biology 20020401 |
| FK317: a novel substituted dihydrobenzoxazine with potent antitumor activity which does not induce vascular leak syndrome. | Cancer chemotherapy and pharmacology 19980101 |
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