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125697-91-8,MFCD00133446
Catalog No.:AA000OFK

125697-91-8 | Benzoic acid, 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxy-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥95%
in stock  
$142.00   $99.00
- +
10mg
≥95%
in stock  
$269.00   $188.00
- +
25mg
≥95%
in stock  
$638.00   $446.00
- +
50mg
≥95%
in stock  
$1,132.00   $792.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000OFK
Chemical Name:
Benzoic acid, 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxy-
CAS Number:
125697-91-8
Molecular Formula:
C21H19NO5
Molecular Weight:
365.3793
MDL Number:
MFCD00133446
SMILES:
Oc1ccccc1CN(c1ccc(c(c1)C(=O)O)O)Cc1ccccc1O
Properties
Computed Properties
 
Complexity:
463  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4  

Literature

Title: New scaffolds of natural origin as Integrase-LEDGF/p75 interaction inhibitors: virtual screening and activity assays.

Journal: European journal of medicinal chemistry 20131001

Title: Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.

Journal: Bioorganic & medicinal chemistry 20121115

Title: Trophic factor-induced excitatory synaptogenesis involves postsynaptic modulation of nicotinic acetylcholine receptors.

Journal: The Journal of neuroscience : the official journal of the Society for Neuroscience 20020115

Title: Direct inhibition of the hexose transporter GLUT1 by tyrosine kinase inhibitors.

Journal: Biochemistry 20010123

Title: J C Vera, et al. Direct inhibition of the hexose transporter GLUT1 by tyrosine kinase inhibitors. Biochemistry. 2001 Jan 23;40(3):777-90.

Title: Fatima E Agharbaoui, et al. Computational and synthetic approaches for developing Lavendustin B derivatives as allosteric inhibitors of HIV-1 integrase. Eur J Med Chem. 2016 Nov 10;123:673-683.

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SDS
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Tags:125697-91-8 Molecular Formula|125697-91-8 MDL|125697-91-8 SMILES|125697-91-8 Benzoic acid, 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxy-
Catalog No.: AA000OFK
125697-91-8,MFCD00133446
125697-91-8 | Benzoic acid, 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxy-
Pack Size： 5mg
Purity： ≥95%
in stock
$142.00 $99.00
Pack Size： 10mg
Purity： ≥95%
in stock
$269.00 $188.00
Pack Size： 25mg
Purity： ≥95%
in stock
$638.00 $446.00
Pack Size： 50mg
Purity： ≥95%
in stock
$1,132.00 $792.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000OFK
Chemical Name: Benzoic acid, 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxy-
CAS Number: 125697-91-8
Molecular Formula: C21H19NO5
Molecular Weight: 365.3793
MDL Number: MFCD00133446
SMILES: Oc1ccccc1CN(c1ccc(c(c1)C(=O)O)O)Cc1ccccc1O
Properties
Complexity: 463  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 27  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 4  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4  
Literature fold

Title: New scaffolds of natural origin as Integrase-LEDGF/p75 interaction inhibitors: virtual screening and activity assays.

Journal: European journal of medicinal chemistry20131001

Title: Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.

Journal: Bioorganic & medicinal chemistry20121115

Title: Trophic factor-induced excitatory synaptogenesis involves postsynaptic modulation of nicotinic acetylcholine receptors.

Journal: The Journal of neuroscience : the official journal of the Society for Neuroscience20020115

Title: Direct inhibition of the hexose transporter GLUT1 by tyrosine kinase inhibitors.

Journal: Biochemistry20010123

Title: J C Vera, et al. Direct inhibition of the hexose transporter GLUT1 by tyrosine kinase inhibitors. Biochemistry. 2001 Jan 23;40(3):777-90.

Title: Fatima E Agharbaoui, et al. Computational and synthetic approaches for developing Lavendustin B derivatives as allosteric inhibitors of HIV-1 integrase. Eur J Med Chem. 2016 Nov 10;123:673-683.

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