CK 683A
Basic information
- CAS
83539-21-3- Standard SMILES
CN(CCCN=C(N)NC(=O)NC12CC3CC(CC(C3)C1)C2)CCCN=C(N)NC(=O)NC12CC3CC(CC(C3)C1)C2.CS(=O)(=O)O- InChIKey
LJDCZTFYPZNDAD-UHFFFAOYSA-N- Molecular formula
- C32H57N9O5S
- Average molar mass
- 679.9 g/mol
- Monoisotopic mass
- 679.42033713
Overview
RN given refers to monomethanesulfonate; structure given in first source
Names & identifiers
- Preferred name
- CK 683A
- IUPAC
- 1-(1-adamantyl)-3-[N'-[3-[3-[[(1-adamantylcarbamoylamino)-aminomethylidene]amino]propyl-methylamino]propyl]carbamimidoyl]urea;methanesulfonic acid
- English name
- CK 683A
- Molecular formula
- C32H57N9O5S
- Molecular weight
- 679.93
Names & synonyms
CK 683A83539-21-3CK0683ACK-683ARefChem:1266461,7-Bis((1-adamantyl)carbamylguanidino)-4-methyl-4-azaheptane1-(1-adamantyl)-3-[N'-[3-[3-[[(1-adamantylcarbamoylamino)-aminomethylidene]amino]propyl-methylamino]propyl]carbamimidoyl]urea;methanesulfonic acidorb1697771DTXSID501003537AKOS040751205HY-123429T30958
Show more names
2,4,8,12,14-Pentaazapentadecanediamide, 3,13-diimino-8-methyl-N,N'-bis(tricyclo(3.3.1.1(3,7))dec-1-yl)-, monomethanesulfonateMethanesulfonic acid--N',N'''-[(methylazanediyl)bis(propane-3,1-diylcarbamimidoyl)]bis[N-(adamantan-1-yl)carbamimidic acid] (1/1)Methanesulfonic acid--N',N'''-{(methylazanediyl)bis[(propane-3,1-diyl)carbamimidoyl]}bis(N-adamantan-1-ylcarbamimidic acid) (1/1)
Database identifiers
- CAS
83539-21-3- PubChem CID
- 64518
- DTXSID
DTXSID501003537
Properties
Computed structural properties
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,000
Chemistry & industry
Applications
DescriptionCK 683A is a bio-active chemical.
UsesCK0683A is a novel biaminourea antibiotic with antiplaque effects and demonstrated efficacy in experimental mouse dental disease models. A 12-week study in beagles compared its efficacy in terms of plaque and gingivitis reduction, staining potential, and safety. Dogs were selected as the study subjects because the onset and progression of canine periodontal disease is similar to that of humans. As a positive control for plaque and gingivitis reduction and staining, chlorhexidine acetate was selected because it is effective in both humans and dogs.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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