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    Bisantrene

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 23,876Xls

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    2D Structure
    Also known as: 78186-34-2, Bisantrene [inn], Bisantrenum [inn-latin], Bisantreno [inn-spanish], Nsc 337766, Bisantrene hydrochloride
    Molecular Formula
    C22H22N8
    Molecular Weight
    398.5  g/mol
    InChI Key
    NJSMWLQOCQIOPE-OCHFTUDZSA-N
    FDA UNII
    39C34M111K
    Bisantrene is an anthracenyl bishydrazone with antineoplastic activity. Bisantrene intercalates with and disrupts the configuration of DNA, resulting in DNA single-strand breaks, DNA-protein crosslinking, and inhibition of DNA replication. This agent is similar to doxorubicin in activity, but unlike doxorubicin, does not exhibit cardiotoxicity. (NCI04)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(E)-[10-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
    2.1.2 InChI
    InChI=1S/C22H22N8/c1-2-6-16-15(5-1)19(13-27-29-21-23-9-10-24-21)17-7-3-4-8-18(17)20(16)14-28-30-22-25-11-12-26-22/h1-8,13-14H,9-12H2,(H2,23,24,29)(H2,25,26,30)/b27-13+,28-14+
    2.1.3 InChI Key
    NJSMWLQOCQIOPE-OCHFTUDZSA-N
    2.1.4 Canonical SMILES
    C1CN=C(N1)NN=CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C=NNC5=NCCN5
    2.1.5 Isomeric SMILES
    C1NC(=NC1)N/N=C/C2=C3C(=C(C4=CC=CC=C24)/C=N/NC5=NCCN5)C=CC=C3
    2.2 Other Identifiers
    2.2.1 UNII
    39C34M111K
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 9,10-anthracenedicarboxaldehyde Bis(4,5-dihydro-1h-imidazol-2-yl)hydrazone

    2. Bisantrene Dihydrochloride

    3. Cl 216942

    4. Cl216,942

    5. Nsc 337766

    2.3.2 Depositor-Supplied Synonyms

    1. 78186-34-2

    2. Bisantrene [inn]

    3. Bisantrenum [inn-latin]

    4. Bisantreno [inn-spanish]

    5. Nsc 337766

    6. Bisantrene Hydrochloride

    7. Brn 0966309

    8. Bisantrenum

    9. Cl 216942

    10. Chembl25336

    11. Unii-39c34m111k

    12. 39c34m111k

    13. Bisantrene Hcl

    14. N-[(e)-[10-[(e)-(4,5-dihydro-1h-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1h-imidazol-2-amine

    15. 9,10-anthracendicarbaldehyde Bis(2-imidazolin-2-ylhydrazon)

    16. 9,10-bis((2-(4,5-dihydro-1h-imidazol-2-yl)hydrazono)methyl)anthracene

    17. 9,10-anthracenedicarboxaldehyde, Bis((4,5-dihydro-1h-imidazol-2-yl)hydrazone)

    18. Nsc-337766

    19. 9,10-anthracenedicarboxaldehyde Bis(2-imidazolin-2-ylhydrazone)

    20. 9,10-bis(2-(4,5-dihydro-1h-imidazol-2-yl)hydrazono)methyl)anthracene

    21. C22h22n8.2clh

    22. C22-h22-n8.2cl-h

    23. Nsc337766

    24. 71439-68-4

    25. 9,10-anthracenedicarboxaldehyde, Bis((4,5-dihydro-1h-imidazol-2-yl)hydrazone)-

    26. Cl216942

    27. Bisantrene [mi]

    28. Cl216,942

    29. 9,10-anthracenedicarboxaldehyde, Bis(4,5-dihydro-1h-imidazol-2-yl Hydrazone),dihydrochloride

    30. Bisantrene [who-dd]

    31. Schembl8906393

    32. 9,10-anthracenedicarboxaldehyde Bis[(4,5-dihydro-1h-imidazol-2-yl)hydrazone]

    33. 9,10-bis((e)-(2-(4,5-dihydro-1h-imidazol-2-yl)hydrazono)methyl)anthracene

    34. Ex-a2382

    35. Bdbm50060768

    36. Ccg-35603

    37. 9,10-anthracenedicarboxaldehyde Bis(4,5-dihydro-1h-imidazol-2-yl)hydrazone

    38. Cs-6132

    39. Ac-35847

    40. As-75775

    41. Ls-20289

    42. N-[(e)-[10-[(e)-(4,5-dihydro-1h-imidazol-2-ylhydrazono)methyl]-9-anthryl]methyleneamino]-4,5-dihydro-1h-imidazol-2-amine

    43. Hy-100875

    44. Brd-k64298650-300-01-5

    45. 9,10-anthracenedicarboxaldehyde Bis(2-imidazolin-2-yl-hydrazone)

    46. 9,10-anthracenedicarbaldehyde Bis(4,5-dihydro-1h-imidazol-2-ylhydrazone)

    47. Anthracene-9,10 Bis-carbaldehyde 4,5-dihydro-1h-imidazol-2-ylhydrazone

    48. 9,10-anthracenedicarboxaldehyde Bis[(4,5-dihydro-1h-imidazol-2yl)hydrazone)

    49. 9,10-anthracenedicarboxaldehyde, Bis(4,5-dihydro-1h-imidazol-2-ylhydrazone),dihydrochloride

    50. N-anthracen-9-yl Methylene N''-[(bis)4,5-dihydro-1h-imidazole-2-yl)-hydrazine

    51. N-anthracen-bis-9,10-ylmethylene-n''-(4,5-dihydro-1h-imidazol-2-yl)-hydrazine(bisantrene)

    52. 10-imino(4,5-dihydro-1h-2-imidazolamine)methyl-9-anthrylmethan-(4,5-dihydro-1h-2-imidazolamine)imine

    53. X N-4,5-dihydro-1h-2-imidazolamine-10-iminomethyl-9-anthrylmethanimine-4,5-dihydro-1h-2-imidazolamine (bisantrene)

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 398.5 g/mol
    Molecular Formula C22H22N8
    XLogP31.9
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area97.6
    Heavy Atom Count30
    Formal Charge0
    Complexity630
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antibiotics, Antineoplastic

    Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms. (See all compounds classified as Antibiotics, Antineoplastic.)