Details
Stereochemistry | ACHIRAL |
Molecular Formula | C46H50N6O2.2Cl |
Molecular Weight | 789.834 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Cl-].[Cl-].COC1=CC=C2NC3=CC=C4C=C[N+](CCN5CCC(CC5)C6CCN(CC[N+]7=CC8=C9C(NC%10=CC=C(OC)C=C9%10)=CC=C8C=C7)CC6)=CC4=C3C2=C1
InChI
InChIKey=FWBSWSRNGHRDFZ-UHFFFAOYSA-N
InChI=1S/C46H48N6O2.2ClH/c1-53-35-5-9-41-37(27-35)45-39-29-51(21-15-33(39)3-7-43(45)47-41)25-23-49-17-11-31(12-18-49)32-13-19-50(20-14-32)24-26-52-22-16-34-4-8-44-46(40(34)30-52)38-28-36(54-2)6-10-42(38)48-44;;/h3-10,15-16,21-22,27-32H,11-14,17-20,23-26H2,1-2H3;2*1H
Molecular Formula | C46H48N6O2 |
Molecular Weight | 716.9123 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Ditercalinium is the antineoplastic agent. Ditercalinium itself is not a natural product, however, it is derived from the natural product 5,11-dimethyl-6H-pyrido-[4,3- b]carbazole (ellipticine) that was isolated in 1959. It is a rare example of a noncovalent DNA-binding ligand that forms bisintercalation complexes via the major groove of the double helix. Ditercalinium selectively recognizes certain GC-rich sequences in DNA. It preferentialy binds with antiparallel quadruplex sequence d(AG(3)[T(2)AG(3)](3)). Ditercalinium chloride can deplete mitochondrial DNA in both mouse and human cells. Ditercalinium chloride inhibits human DNA polymerase gamma activity as efficiently as does ethidium bromide. Ethidium bromide distributes diffusely in the mitochondria of HeLa cells, while ditercalinium chloride distributes granularly and hence may be strongly associated with mitochondrial DNA.
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:03:50 GMT 2023
by
admin
on
Fri Dec 15 16:03:50 GMT 2023
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Record UNII |
40Z22S8DO8
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Record Status |
Validated (UNII)
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Record Version |
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-
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Common Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C582
Created by
admin on Fri Dec 15 16:03:50 GMT 2023 , Edited by admin on Fri Dec 15 16:03:50 GMT 2023
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C77561
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335153
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SUB06330MIG
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CHEMBL1182165
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C042804
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40Z22S8DO8
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74517-42-3
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DTXSID80996033
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5294
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100000081857
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71541
Created by
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |