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72702-95-5,MFCD00204117
Catalog No.:AA005PQT

72702-95-5 | Statil

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
97%
in stock  
$10.00   $7.00
- +
10mg
97%
in stock  
$45.00   $31.00
- +
100mg
97%
in stock  
$162.00   $114.00
- +
250mg
97%
in stock  
$297.00   $208.00
- +
1g
97%
in stock  
$726.00   $508.00
- +
5g
97%
in stock  
$2,156.00 $1,509.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA005PQT
Chemical Name:
Statil
CAS Number:
72702-95-5
Molecular Formula:
C17H12BrFN2O3
Molecular Weight:
391.1912
MDL Number:
MFCD00204117
SMILES:
OC(=O)Cc1nn(Cc2ccc(cc2F)Br)c(=O)c2c1cccc2
Properties
Properties
 
Form:
Solid  
MP:
184-186℃ (DEC.)  
Storage:
Keep in dry area;-20 ℃;  

Computed Properties
 
Complexity:
542  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.2  

Downstream Synthesis Route
72702-95-5    75-36-5   
methyl2-(2-fluoro-4-bromobenzyl)-1,2-dihydro-1-oxophthalazin-4-ylacetate 

[1]Patent:US4251528,1981,A

72702-95-5   
petrol 
 
sodium2-(2-fluoro-4-bromobenzyl)-1,2-dihydro-1-oxophthalazin-4-ylacetate 

[1]Patent:US4251528,1981,A

[1]ChemicalBiologyandDrugDesign,2010,vol.75,p.381-391

[1]ChemicalBiologyandDrugDesign,2010,vol.75,p.381-391

Literature

Title: Aldo-keto reductases protect lung adenocarcinoma cells from the acute toxicity of B[a]P-7,8-trans-dihydrodiol.

Journal: Chemical research in toxicology 20120113

Title: Synthesis and antimycobacterial evaluation of novel Phthalazin-4-ylacetamides against log- and starved phase cultures.

Journal: Chemical biology & drug design 20100401

Title: Structure of human aldose reductase holoenzyme in complex with statil: an approach to structure-based inhibitor design of the enzyme.

Journal: Proteins 20030201

Title: A comparison of quantitative NMR and radiolabelling studies of the metabolism and excretion of Statil (3-(4-bromo-2-fluorobenzyl)-4-oxo-3H-phthalazin-1-ylacetic acid) in the rat.

Journal: Journal of pharmaceutical and biomedical analysis 20020401

Title: Molecular modeling of the aldose reductase-inhibitor complex based on the X-ray crystal structure and studies with single-site-directed mutants.

Journal: Journal of medicinal chemistry 20000323

Title: Effect of lipoprotein lipase activators bezafibrate and NO-1886, on B16 melanoma-induced cachexia in mice.

Journal: Anticancer research 19990101

Title: Aldose reductase inhibitors: a potential new class of agents for the pharmacological control of certain diabetic complications.

Journal: Journal of medicinal chemistry 19850701

Title: Ward WH, et al. Ponalrestat: a potent and specific inhibitor of aldose reductase. Biochem Pharmacol. 1990 Jan 15;39(2):337-46.

Title: Bresson E, et al. The human aldose reductase AKR1B1 qualifies as the primary prostaglandin F synthase in the endometrium. J Clin Endocrinol Metab. 2011 Jan;96(1):210-9.

Title: Calcutt NA, et al. Prevention of sensory disorders in diabetic Sprague-Dawley rats by aldose reductase inhibition or treatment with ciliary neurotrophic factor. Diabetologia. 2004 Apr;47(4):718-24.

Quotation Request
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SDS
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Tags:72702-95-5 Molecular Formula|72702-95-5 MDL|72702-95-5 SMILES|72702-95-5 Statil
Catalog No.: AA005PQT
72702-95-5,MFCD00204117
72702-95-5 | Statil
Pack Size： 1mg
Purity： 97%
in stock
$10.00 $7.00
Pack Size： 10mg
Purity： 97%
in stock
$45.00 $31.00
Pack Size： 100mg
Purity： 97%
in stock
$162.00 $114.00
Pack Size： 250mg
Purity： 97%
in stock
$297.00 $208.00
Pack Size： 1g
Purity： 97%
in stock
$726.00 $508.00
Pack Size： 5g
Purity： 97%
in stock
$2,156.00 $1,509.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA005PQT
Chemical Name: Statil
CAS Number: 72702-95-5
Molecular Formula: C17H12BrFN2O3
Molecular Weight: 391.1912
MDL Number: MFCD00204117
SMILES: OC(=O)Cc1nn(Cc2ccc(cc2F)Br)c(=O)c2c1cccc2
Properties
Form: Solid  
MP: 184-186℃ (DEC.)  
Storage: Keep in dry area;-20 ℃;  
Complexity: 542  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 24  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.2  
Downstream Synthesis Route
72702-95-5    75-36-5   
methyl2-(2-fluoro-4-bromobenzyl)-1,2-dihydro-1-oxophthalazin-4-ylacetate 

[1]Patent:US4251528,1981,A

72702-95-5   
petrol 
 
sodium2-(2-fluoro-4-bromobenzyl)-1,2-dihydro-1-oxophthalazin-4-ylacetate 

[1]Patent:US4251528,1981,A

109-01-3    72702-95-5    1226760-14-0 

[1]ChemicalBiologyandDrugDesign,2010,vol.75,p.381-391

504-29-0    72702-95-5    1226760-10-6 

[1]ChemicalBiologyandDrugDesign,2010,vol.75,p.381-391

Literature fold

Title: Aldo-keto reductases protect lung adenocarcinoma cells from the acute toxicity of B[a]P-7,8-trans-dihydrodiol.

Journal: Chemical research in toxicology20120113

Title: Synthesis and antimycobacterial evaluation of novel Phthalazin-4-ylacetamides against log- and starved phase cultures.

Journal: Chemical biology & drug design20100401

Title: Structure of human aldose reductase holoenzyme in complex with statil: an approach to structure-based inhibitor design of the enzyme.

Journal: Proteins20030201

Title: A comparison of quantitative NMR and radiolabelling studies of the metabolism and excretion of Statil (3-(4-bromo-2-fluorobenzyl)-4-oxo-3H-phthalazin-1-ylacetic acid) in the rat.

Journal: Journal of pharmaceutical and biomedical analysis20020401

Title: Molecular modeling of the aldose reductase-inhibitor complex based on the X-ray crystal structure and studies with single-site-directed mutants.

Journal: Journal of medicinal chemistry20000323

Title: Effect of lipoprotein lipase activators bezafibrate and NO-1886, on B16 melanoma-induced cachexia in mice.

Journal: Anticancer research19990101

Title: Aldose reductase inhibitors: a potential new class of agents for the pharmacological control of certain diabetic complications.

Journal: Journal of medicinal chemistry19850701

Title: Ward WH, et al. Ponalrestat: a potent and specific inhibitor of aldose reductase. Biochem Pharmacol. 1990 Jan 15;39(2):337-46.

Title: Bresson E, et al. The human aldose reductase AKR1B1 qualifies as the primary prostaglandin F synthase in the endometrium. J Clin Endocrinol Metab. 2011 Jan;96(1):210-9.

Title: Calcutt NA, et al. Prevention of sensory disorders in diabetic Sprague-Dawley rats by aldose reductase inhibition or treatment with ciliary neurotrophic factor. Diabetologia. 2004 Apr;47(4):718-24.

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