Basic information
- CAS
105462-22-4- Standard SMILES
O=P(O)(O)C(CNc1ccccn1)P(=O)(O)O- InChIKey
BHVCADPDEFLLGM-UHFFFAOYSA-N- Molecular formula
- C7H12N2O6P2
- Average molar mass
- 282.13 g/mol
- Monoisotopic mass
- 282.0170601
Names & identifiers
- Preferred name
- NE11808
- IUPAC
- [1-phosphono-2-(pyridin-2-ylamino)ethyl]phosphonic acid
- English name
- [1-phosphono-2-(pyridin-2-ylamino)ethyl]phosphonic acid
- Molecular formula
- C7H12N2O6P2
- Molecular weight
- 282.127502
Names & synonyms
105462-22-4NE11808{1-phosphono-2-[(pyridin-2-yl)amino]ethyl}phosphonic acidNE 11808(1-phosphono-2-((pyridin-2-yl)amino)ethyl)phosphonic acidRefChem:164937[1-phosphono-2-(pyridin-2-ylamino)ethyl]phosphonic acid[2-(pyridin-2-ylamino)ethane-1,1-diyl]bis(phosphonic acid)CHEMBL2941922i19GTPL3160orb1699852
Show more names
NE-11808
SCHEMBL7800998DTXSID50328120BDBM50115106NSC724480AKOS040749007NSC-7244801BYCS-0064220
Database identifiers
- CAS
105462-22-4- PubChem CID
- 406401
- DTXSID
DTXSID50328120- ChEMBL
CHEMBL294192- Nikkaji
- J635.460B
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 317
Chemistry & industry
Applications
DescriptionNE11808 is FPP synthase inhibitor.
UsesNE11808 is a potent antiresorptive bisphosphonate that inhibits osteoclast prenylation and effectively inhibits protein prenylation in osteoclasts and suppresses labeling of dye-front end compounds.
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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