Basic information
- CAS
64169-11-5- Standard SMILES
CS(=O)(=O)O.CS(=O)(=O)O.NC(=NCCCN1CCN(CCCN=C(N)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2- InChIKey
VLHVQVUMLUZGET-UHFFFAOYSA-N- Molecular formula
- C36H66N10O8S2
- Average molar mass
- 831.1 g/mol
- Monoisotopic mass
- 830.45065145
Overview
RN given refers to dimethanesulfonate; structure given in first source
Names & identifiers
- Preferred name
- CK 492B
- IUPAC
- 1-(1-adamantyl)-3-[N'-[3-[4-[3-[[(1-adamantylcarbamoylamino)-aminomethylidene]amino]propyl]piperazin-1-yl]propyl]carbamimidoyl]urea;methanesulfonic acid
- English name
- CK 492B
- Molecular formula
- C36H66N10O8S2
- Molecular weight
- 831.10144
Names & synonyms
CK 492B64169-11-5CK0492BCK-492BDTXSID30214370RefChem:126645DTXCID301368611,4-Bis-(3-(1-adamantyl carbamylguanidino)propyl)piperazine1-(1-adamantyl)-3-[N'-[3-[4-[3-[[(1-adamantylcarbamoylamino)-aminomethylidene]amino]propyl]piperazin-1-yl]propyl]carbamimidoyl]urea;methanesulfonic acidHY-123479Methanesulfonic acid--N,N'-[piperazine-1,4-diylbis(propane-3,1-diylcarbamimidoyl)]bis[N'-(adamantan-1-yl)urea] (2/1)Urea, N,N'-(1,4-piperazinediylbis(3,1-propanediyliminocarbonimidoyl)bis(N-tricyclo(3.3.1.1(3,7))dec-1-yl-, dimethanesulfonate
Database identifiers
- CAS
64169-11-5- PubChem CID
- 64461
- DTXSID
DTXSID30214370
Properties
Computed structural properties
- Topological polar surface area
- 291 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,100
Chemistry & industry
Applications
DescriptionCK 492B is a bio-active chemical.
UsesCK0492B is a novel biaminourea antibiotic that has antiplaque properties in vitro and has shown efficacy in an experimental mouse dental disease model. A 12-week study in beagles compared its efficacy in reducing plaque and gingivitis, staining potential, and safety. Dogs were selected as the study subjects because the onset and progression of canine periodontal disease are similar to humans. Chlorhexidine acetate was selected as a positive control for plaque and gingivitis reduction and staining because it is effective in both humans and dogs.
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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