Basic information
- CAS
423732-11-0- Standard SMILES
NNC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1- InChIKey
NBSWNEYEAADJGQ-UHFFFAOYSA-N- Molecular formula
- C17H15N3O3S
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.08341252
Names & identifiers
- Preferred name
- Dapl-in-1
- IUPAC
- N-[3-(hydrazinecarbonyl)naphthalen-2-yl]benzenesulfonamide
- English name
- DapL inhibitor 1
- Molecular formula
- C17H15N3O3S
- Molecular weight
- 341.39
Names & synonyms
dapl-in-1423732-11-0N-[3-(hydrazinecarbonyl)naphthalen-2-yl]benzenesulfonamideCHEMBL589313N-(3-Hydrazinocarbonyl-naphthalen-2-yl)-benzenesulfonamideCBMicro_037846MLS000974620orb1702382DTXSID101332906GLXC-04224HMS2848I09BDBM50481547
Show more names
DapLIN1DapL IN 1DapL-inhibitor-1DapL inhibitor 1
AKOS040746733SMR000496817BIM-0037839.P001CS-0376776T25288AB00101013-01SR-01000223506SR-01000223506-1
Database identifiers
- CAS
423732-11-0- PubChem CID
- 877367
- DTXSID
DTXSID101332906- ChEMBL
CHEMBL589313- Nikkaji
- J3.093.551I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 540
Experimental & physicochemical properties
Solubility22.1 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Applications
DescriptionDapL-IN-1 is an inhibitor of L,L-diaminopimelate aminotransferase (DapL).
UsesDapL-IN-1 is an inhibitor of L,L-diaminoheptanoic acid aminotransferase (DapL) with the characteristics of inhibiting DapL activity in bacteria and plants. DapL-IN-1 can be used to design and discover new biocides such as antibiotics, herbicides or algaecides with the potential to be non-toxic to animals. DapL-IN-1 shows differential sensitivity in inhibiting different DapL homologues, which can provide important information for further drug development. DapL-IN-1 may affect its biological activity by affecting the interaction with residues adjacent to the active site, which may lead to different binding modes[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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