Basic information
- CAS
27661-27-4- Standard SMILES
O=C(O)c1ccc(NC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1- InChIKey
HLDUHCYBUVVDOT-GZBOUJLJSA-N- Molecular formula
- C12H15NO6
- Average molar mass
- 269.25 g/mol
- Monoisotopic mass
- 269.0899372
Overview
Benaxibine is a cyclophosphamide synergizer with antineoplastic, antidiabetic, antihypertensive and immunopotentiating activity. Benaxibine is active against integrin alph-4 precursor.
Names & identifiers
- Preferred name
- Benaxibine
- IUPAC
- 4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid
- English name
- Benaxibine
- Molecular formula
- C12H15NO6
- Molecular weight
- 269.25
Names & synonyms
Benaxibine27661-27-4BenaxibinaBenaxibinump-(D-Xylosylamino)benzoic acidDTXSID90461026EEL176LGY4-(D-Xylosylamino)benzoic acid4-Aminobenzoic acid-N-xylosideDTXCID7026102RefChem:116956p-(xylosylamino)benzoic acid
Show more names
4-(D-Xylopyranosylamino)benzoic acidp-(D-Xylopyranosylamino)benzoic acidBenzoic acid, 4-(D-xylopyranosylamino)-
para-aminobenzoic acid-N-D-xylosidesodium-4-aminobenzoic acid-N-xyloside4-(D-xylosylamino)benzoic acid, sodium saltBenaxibine [INN]4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid4-{[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino}benzoic acidBenaxibinum [Latin]Benaxibina [Spanish]
Database identifiers
- CAS
27661-27-4- PubChem CID
- 65760
- DTXSID
DTXSID9046102- ChEMBL
CHEMBL490070- UNII
- 6EEL176LGY
- Nikkaji
- J39.172G
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Melting point
- 155 · 155-157℃
- Boiling point
- 569.2 · 569.2±50.0 °C(Predicted)
- Density
- 1.622 · 1.622
- pka
- 4 · 4+-.0.10(Predicted)
- FDA UNII
- 6 EEL176LGY · 6EEL176LGY
Chemistry & industry
Applications
UsesBenaxibine is an alkaloid belonging to the quinolone family of compounds. Benaxibine has a variety of biological activities, including anti-inflammatory, antioxidant, anti-tumor and immune-enhancing effects. Benaxibine can be used for screening and research of diseases such as inflammation and tumor[1].
Suppliers6 total
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
重庆卡兰医药有限公司[email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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