Ellipticine

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  • Identifiers

    CAS number
    519-23-3

    Molecular formula
    C17H14N2

    SMILES
    CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Floral 55.44%
    Fruity 53.94%
    Animal 46.03%
    Musk 35.21%
    Neroli 32.95%
    Grape 28.42%
    Burnt 27.94%
    Powdery 27.87%
    Sweet 26.93%
    Fatty 26.67%

     

    Flavor
    Bitter 91.19%
    Very strong 22.52%
    Indole 21.59%
    Cereal 19.18%
    Nitrile 19.05%
    Moth ball 18.99%
    Rotten 18.92%
    Animal 18.9%
    Naphthelene 18.52%
    Cedarleaf 18.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.09 (neutral)

    Molecular weight
    246.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    664°C

    Flash point

    • 228.1 ˚C est.

  • Synonyms

    • ellipticine
    • 519-23-3
    • 5,11-Dimethyl-6H-pyrido[4,3-b]carbazole
    • Elliptisine
    • NSC 71795
    • NSC-71795
    • elliptecine
    • 5,11-Dimethyl-6H-pyrido(4,3-b)carbazole
    • 117VLW7484
    • CHEBI:4776
    • DTXSID30199855
    • RefChem:136522
    • DTXCID90122346
    • 208-264-0
    • TCMDC-125546
    • ICIG 770
    • NSC71795
    • MFCD00010524
    • CHEMBL123
    • MLS000028487
    • MLS000736786
    • 6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-
    • 6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-
    • SMR000058370
    • BRN 0221300
    • CCRIS 2003
    • CP 5
    • SR-01000003083
    • EINECS 208-264-0
    • Ellipticin
    • Ellipticine?
    • 5,11-Dimethyl-6H-pyrido[4,3-b]carbazole; CP 5; NSC 71795
    • UNII-117VLW7484
    • ellipticine, HCl
    • 5,3-b]carbazole
    • Prestwick_194
    • CCG-36483
    • Ellipticine, synthetic
    • ELLIPTICINE [MI]
    • Opera_ID_1748
    • Prestwick0_000614
    • Prestwick1_000614
    • Prestwick2_000614
    • Prestwick3_000614
    • Lopac-E-3380
    • Probes1_000152
    • Probes2_000130
    • cid_3213
    • Neuro_000031
    • Lopac0_000531
    • REGID_for_CID_3213
    • BSPBio_000548
    • 5-23-09-00417 (Beilstein Handbook Reference)
    • MLS001076505
    • SCHEMBL138079
    • SPBio_002767
    • BPBio1_000604
    • orb1309545
    • SCHEMBL29429243
    • GLXC-05962
    • HMS1569L10
    • HMS2096L10
    • HMS2230H10
    • HMS3261L03
    • HMS3371L09
    • EX-A2053
    • Tox21_500531
    • BDBM50004233
    • AKOS024457578
    • CS-5294
    • EBC-437045
    • FE65641
    • LP00531
    • SDCCGSBI-0050514.P002
    • CCG36483; NSC71795
    • NCGC00015411-01
    • NCGC00015411-02
    • NCGC00015411-03
    • NCGC00015411-04
    • NCGC00015411-05
    • NCGC00015411-06
    • NCGC00015411-07
    • NCGC00015411-08
    • NCGC00015411-09
    • NCGC00015411-10
    • NCGC00015411-12
    • NCGC00015411-14
    • NCGC00015411-19
    • NCGC00022199-03
    • NCGC00022199-04
    • NCGC00022199-05
    • NCGC00261216-01
    • AC-35834
    • AS-77042
    • CAS-519-23-3
    • HY-15753
    • NCI60_040685
    • 5,11-dimethyl-2H-pyrido[4,3-b]carbazole
    • DB-052047
    • WLN: T D6 B656 FN LMJ C1 J1
    • EU-0100531
    • NS00032376
    • C09154
    • E 3380
    • K00071
    • SR-01000003083-2
    • SR-01000003083-6
    • BRD-K85985071-001-03-3
    • BRD-K85985071-001-16-5
    • BRD-K85985071-001-22-3
    • Q10359556
    • 519-23-3

  • Applications

    Ellipticine (CAS 519-23-3) is a polycyclic alkaloid primarily used in biomedical and medicinal chemistry research as a DNA intercalator and topoisomerase II inhibitor, making it a lead scaffold for anticancer drug development and for designing new derivatives. In pharmaceutical research, ellipticine is commonly employed as a tool compound and starting point to optimize activity and selectivity for preclinical evaluation. It also serves as a molecular biology probe to study DNA–target interactions and the mechanism of action of alkaloids. With its planar structure and photophysical properties, ellipticine can be used in optical and spectroscopic applications and as a reference in assays that monitor DNA interactions, and it functions as a precursor or scaffold for synthesizing related derivatives in medicinal chemistry. In the research chemicals field, ellipticine provides a basis for developing heterocyclic compounds and other alkaloid derivatives to expand the portfolio of potential bioactive entities.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.9
    methanol 3.98
    isopropanol 4.37
    water 0.01
    ethyl acetate 16.58
    n-propanol 6.96
    acetone 22.11
    n-butanol 7.38
    acetonitrile 2.82
    DMF 49.59
    toluene 12.54
    isobutanol 6.66
    1,4-dioxane 42.4
    methyl acetate 15.45
    THF 90.47
    2-butanone 24.45
    n-pentanol 8.77
    sec-butanol 4.83
    n-hexane 1.08
    ethylene glycol 1.17
    NMP 48.62
    cyclohexane 0.85
    DMSO 25.77
    n-butyl acetate 30.47
    n-octanol 8.66
    chloroform 46.75
    n-propyl acetate 23.62
    acetic acid 6.57
    dichloromethane 62.77
    cyclohexanone 42.11
    propylene glycol 0.98
    isopropyl acetate 15.83
    DMAc 52.06
    2-ethoxyethanol 18.09
    isopentanol 9.86
    n-heptane 1.62
    ethyl formate 10.98
    1,2-dichloroethane 47.88
    n-hexanol 16.2
    2-methoxyethanol 17.59
    isobutyl acetate 25.61
    tetrachloromethane 8.11
    n-pentyl acetate 35.55
    transcutol 36.72
    n-heptanol 14.43
    ethylbenzene 10.86
    MIBK 19.94
    2-propoxyethanol 34.95
    tert-butanol 7.37
    MTBE 10.13
    2-butoxyethanol 29.08
    propionic acid 6.13
    o-xylene 9.16
    formic acid 2.21
    diethyl ether 13.98
    m-xylene 10.86
    p-xylene 17.07
    chlorobenzene 19.71
    dimethyl carbonate 14.74
    n-octane 1.41
    formamide 5.06
    cyclopentanone 64.45
    2-pentanone 22.01
    anisole 20.97
    cyclopentyl methyl ether 31.87
    gamma-butyrolactone 61.68
    1-methoxy-2-propanol 12.95
    pyridine 41.66
    3-pentanone 20.95
    furfural 49.09
    n-dodecane 1.08
    diethylene glycol 19.13
    diisopropyl ether 5.41
    tert-amyl alcohol 6.89
    acetylacetone 31.21
    n-hexadecane 1.3
    acetophenone 27.41
    methyl propionate 17.43
    isopentyl acetate 35.64
    trichloroethylene 86.16
    n-nonanol 10.41
    cyclohexanol 7.84
    benzyl alcohol 17.1
    2-ethylhexanol 14.7
    isooctanol 14.43
    dipropyl ether 16.07
    1,2-dichlorobenzene 22.25
    ethyl lactate 10.15
    propylene carbonate 26.81
    n-methylformamide 11.12
    2-pentanol 5.0
    n-pentane 0.77
    1-propoxy-2-propanol 21.08
    1-methoxy-2-propyl acetate 32.59
    2-(2-methoxypropoxy) propanol 21.53
    mesitylene 7.16
    ε-caprolactone 35.32
    p-cymene 10.76
    epichlorohydrin 83.17
    1,1,1-trichloroethane 26.23
    2-aminoethanol 2.8
    morpholine-4-carbaldehyde 54.2
    sulfolane 54.26
    2,2,4-trimethylpentane 0.9
    2-methyltetrahydrofuran 41.38
    n-hexyl acetate 28.06
    isooctane 0.8
    2-(2-butoxyethoxy)ethanol 28.19
    sec-butyl acetate 17.83
    tert-butyl acetate 19.4
    decalin 1.83
    glycerin 2.96
    diglyme 55.08
    acrylic acid 6.75
    isopropyl myristate 12.2
    n-butyric acid 11.23
    acetyl acetate 12.6
    di(2-ethylhexyl) phthalate 15.56
    ethyl propionate 19.4
    nitromethane 15.48
    1,2-diethoxyethane 27.68
    benzonitrile 18.51
    trioctyl phosphate 11.63
    1-bromopropane 19.87
    gamma-valerolactone 69.6
    n-decanol 8.4
    triethyl phosphate 14.67
    4-methyl-2-pentanol 6.23
    propionitrile 7.05
    vinylene carbonate 27.23
    1,1,2-trichlorotrifluoroethane 33.19
    DMS 27.51
    cumene 10.33
    2-octanol 10.35
    2-hexanone 26.71
    octyl acetate 15.57
    limonene 11.64
    1,2-dimethoxyethane 51.23
    ethyl orthosilicate 15.48
    tributyl phosphate 12.89
    diacetone alcohol 19.02
    N,N-dimethylaniline 19.45
    acrylonitrile 9.37
    aniline 13.13
    1,3-propanediol 5.55
    bromobenzene 21.78
    dibromomethane 35.51
    1,1,2,2-tetrachloroethane 52.58
    2-methyl-cyclohexyl acetate 24.01
    tetrabutyl urea 18.97
    diisobutyl methanol 9.18
    2-phenylethanol 26.74
    styrene 10.35
    dioctyl adipate 15.51
    dimethyl sulfate 26.09
    ethyl butyrate 20.38
    methyl lactate 7.54
    butyl lactate 19.35
    diethyl carbonate 14.53
    propanediol butyl ether 12.33
    triethyl orthoformate 18.08
    p-tert-butyltoluene 9.71
    methyl 4-tert-butylbenzoate 27.45
    morpholine 38.23
    tert-butylamine 4.74
    n-dodecanol 6.56
    dimethoxymethane 43.0
    ethylene carbonate 21.18
    cyrene 27.25
    2-ethoxyethyl acetate 44.3
    2-ethylhexyl acetate 31.48
    1,2,4-trichlorobenzene 26.64
    4-methylpyridine 34.9
    dibutyl ether 12.96
    2,6-dimethyl-4-heptanol 9.18
    DEF 28.05
    dimethyl isosorbide 43.43
    tetrachloroethylene 43.08
    eugenol 32.18
    triacetin 22.31
    span 80 17.59
    1,4-butanediol 3.51
    1,1-dichloroethane 22.87
    2-methyl-1-pentanol 12.16
    methyl formate 11.94
    2-methyl-1-butanol 8.55
    n-decane 1.77
    butyronitrile 8.26
    3,7-dimethyl-1-octanol 9.45
    1-chlorooctane 8.35
    1-chlorotetradecane 3.66
    n-nonane 1.45
    undecane 1.35
    tert-butylcyclohexane 1.91
    cyclooctane 0.53
    cyclopentanol 10.03
    tetrahydropyran 33.11
    tert-amyl methyl ether 10.0
    2,5,8-trioxanonane 35.03
    1-hexene 5.9
    2-isopropoxyethanol 17.9
    2,2,2-trifluoroethanol 5.04
    methyl butyrate 25.5

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction