Basic information
- CAS
100510-33-6- Standard SMILES
CC1(C)C(=O)Nc2cc3nc(-c4ccncc4)[nH]c3cc21- InChIKey
TVLQBBHUNDMTEC-UHFFFAOYSA-N- Molecular formula
- C16H14N4O
- Average molar mass
- 278.31 g/mol
- Monoisotopic mass
- 278.11676108
Overview
Adibendan is a small molecule drug. The usage of the INN stem '-dan' in the name indicates that Adibendan is a cardiac stimulant, pimobendan derivative. Adibendan has a monoisotopic molecular weight of 278.12 Da.
Names & identifiers
- Preferred name
- Adibendan
- IUPAC
- 7,7-dimethyl-2-pyridin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
- English name
- Adibendan
- Molecular formula
- C16H14N4O
- Molecular weight
- 278.314
Names & synonyms
Adibendan100510-33-6AdibendanumE87N3L27KXBM 14478BM-14478DTXSID30143358Pyrrolo(2,3-f)benzimidazol-6(1H)-one, 5,7-dihydro-7,7-dimethyl-2-(4-pyridinyl)-7,7-dimethyl-2-(4-pyridyl)-6,7-dihydro-3H,5H pyrrolo (2,3-f)benz-imidazol-6-oneRefChem:109782DTXCID1065849Adibendan [INN]
Show more names
Adibendan, 10 mM in DMSO5,7-Dihydro-7,7-dimethyl-2-(pyridin-4-yl)pyrrolo[2,3-f]benzimidazol-6(1H)-onePyrrolo[2,3-f]benzimidazol-6(3H)-one, 5,7-dihydro-7,7-dimethyl-2-(4-pyridinyl)-
7,7-dimethyl-2-pyridin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one7,7-dimethyl-2-(pyridin-4-yl)-3H,5H,6H,7H-imidazo[4,5-f]indol-6-one5,7-Dihydro-7,7-dimethyl-2-(4-pyridyl)pyrrolo(2,3-f)benzimidazol-6(3H)-oneUNII-E87N3L27KXAdibendanum [Latin]ADIBENDAN [MART.]CHEMBL25931SCHEMBL613156
Database identifiers
- CAS
100510-33-6- PubChem CID
- 65867
- DTXSID
DTXSID30143358
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Melting point
- 285 · 285-288 °C(Solv: methanol (67-56-1))
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- pka
- 9.72 · 9.72±0.40(Predicted)
- FDA UNII
- 87 N3L27KX · E87N3L27KX
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesAdibendan (BM 14478), a benzimidazole derivative, is an orally active, selective phosphodiesterase III (PDE III) activity inhibitor (IC50=2.0 μM). Adibendan has IC50 values more than 60-fold higher for the inhibition of PDE I or II. Adibendan is a new cardiotonic agent[1].
Suppliers10 total
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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