Staurosporine

C28H26N4O3CAS 62996-74-1466.54 g/mol

Open in Covalent MOL file
ONNHNONHO
AmideEtherLactamSecondary amine

Properties

Molecular formula
C28H26N4O3
Molar mass
466.54 g/mol
Exact mass
466.2005 Da
logP
4.35Crippen estimate
Polar surface area
69.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
S, R, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
62996-74-1
SMILES
C[C@@]12[C@@H]([C@@H](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC
InChIKey
HKSZLNNOFSGOKW-WIFUGMKFSA-N
InChI
InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20+,26-,28+/m1/s1
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.78 (dd, J = 7.7, 1.6 Hz, 1H), 7.78 (dd, J = 7.7, 1.6 Hz, 1H), 7.61 (m, J = 7.7, 1.6 Hz, 1H), 7.61 (m, J = 7.7, 1.6 Hz, 1H), 7.51 (m, J = 7.7, 1.6 Hz, 1H), 7.51 (m, J = 7.7, 1.6 Hz, 1H), 7.51 (m, J = 7.7, 1.6 Hz, 1H), 7.51 (m, J = 7.7, 1.6 Hz, 1H), 6.48 (t, J = 7.0 Hz, 1H), 5.90 (br t, J = 5.0 Hz, 1H), 4.80 (d, J = 5.0 Hz, 2H), 4.42 (d, J = 7.0 Hz, 1H), 3.30 (s, 3H), 3.21 (q, J = 7.0 Hz, 1H), 2.43 (s, 3H), 2.37 (t, J = 7.0 Hz, 2H), 1.74 (s, 3H), 1.20 (br s, 1H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 170.0, 139.7, 131.1, 131.1, 131.1, 131.1, 129.7, 128.5, 128.5, 128.4, 128.4, 126.1, 126.1, 121.0, 121.0, 119.5, 119.5, 119.5, 119.5, 116.8, 105.7, 97.6, 55.6, 51.7, 49.6, 36.6, 31.0, 21.6.
[M + H]+
[M + H]+ Calcd for C28H27N4O3 467.2078
[M + Na]+
[M + Na]+ Calcd for C28H26N4NaO3 489.1897
[M − H]−
[M − H]− Calcd for C28H25N4O3 465.1932
Elemental analysis
Anal. Calcd for C28H26N4O3: C, 72.09; H, 5.62; N, 12.01.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3′,2′,1′-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, (9S,10R,11R,13R)-
  • 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3′,2′,1′-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, [9S-(9α,10β,11β,13α)]-
  • (9S,10R,11R,13R)-2,3,10,11,12,13-Hexahydro-10-methoxy-9-methyl-11-(methylamino)-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3′,2′,1′-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one
  • Antibiotic AM 2282
  • Staurosporin
  • AM-2282
  • Alkaloid AM-2282 from streptomyces
  • (+)-Staurosporine
  • Antibiotic 230
  • CGP 39360

Work with Staurosporine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Elsewhere

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