Ditercalinium Chloride
Basic information
- CAS
74517-42-3- Standard SMILES
COc1ccc2[nH]c3ccc4cc[n+](CCN5CCC(C6CCN(CC[n+]7ccc8ccc9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1.[Cl-].[Cl-]- InChIKey
FWBSWSRNGHRDFZ-UHFFFAOYSA-N- Molecular formula
- C46H50Cl2N6O2
- Average molar mass
- 789.8 g/mol
- Monoisotopic mass
- 788.3372302
Overview
See also: Ditercalinium (has active moiety).
Names & identifiers
- Preferred name
- Ditercalinium Chloride
- IUPAC
- 10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazol-2-ium dichloride
- English name
- Ditercalinium
- Molecular formula
- C46H50Cl2N6O2
- Molecular weight
- 789.8342
Names & synonyms
Ditercalinium chloride74517-42-3Cloruro de ditercalinioChlorure de ditercaliniumDitercalinii chloridum40Z22S8DO8NSC-335153RefChem:135176Ditercalinium chloride [INN]Ditercalinium (chloride)2,2'-((4,4'-Bipiperidine)-1,1'-diyldiethylene)bis(10-methoxy-7H-pyrido(4,3-c)carbazolium) dichlorideUNII-40Z22S8DO8
Show more names
NSC-366241Ditercalinium2,2'-[4,4'-Bipiperidine-1,1'-diylbis(ethylene)]bis[10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium]
Ditercalinii chloridum [INN-Latin]Cloruro de ditercalinio [INN-Spanish]Chlorure de ditercalinium [INN-French]CHEMBL435565orb2566404SCHEMBL2733216SCHEMBL3010891510-methoxy-2-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazol-2-ium dichloride
Database identifiers
- CAS
74517-42-3- PubChem CID
- 71541
- ChEMBL
CHEMBL435565- UNII
- 40Z22S8DO8
Properties
Computed structural properties
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,130
Physicochemical properties
- form
- Solid
- color
- Light yellow to yellow
- FDA UNII
- 40 Z22S8DO8 · 40Z22S8DO8
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents that are capable of inserting themselves between the successive bases in DNA, thus kinking, uncoiling or otherwise deforming it and therefore preventing its proper functioning. They are used in the study of DNA.
Applications
UsesDitercalinium chloride is an anticancer agent. Ditercalinium chloride inhibits human DNA polymerase gamma activity. Ditercalinium chloride can deplete mitochondrial DNA in both mouse and human cells. Ditercalinium chloride is a potential ligand against the COMMD10-AP3S1 fusion protein[1][2].
Related reactions
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Compound notes
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