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945531-77-1,MFCD30343856
Catalog No.:AA01E9G8

945531-77-1 | Ezutromid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$48.00   $33.00
- +
5mg
≥98%
in stock  
$205.00   $143.00
- +
10mg
99%
in stock  
$303.00   $212.00
- +
50mg
99%
in stock  
$942.00   $659.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01E9G8
Chemical Name:
Ezutromid
CAS Number:
945531-77-1
Molecular Formula:
C19H15NO3S
Molecular Weight:
337.3923
MDL Number:
MFCD30343856
SMILES:
CCS(=O)(=O)c1ccc2c(c1)nc(o2)c1ccc2c(c1)cccc2
Properties
Computed Properties
 
Complexity:
543  
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:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.3  

Downstream Synthesis Route

[1]CurrentPatentAssignee:SUMMITTHERAPEUTICSPLC-US2009/48314,2009,A1Locationinpatent:Page/Pagecolumn6

[2]CurrentPatentAssignee:SUMMITTHERAPEUTICSPLC-WO2009/21748,2009,A2Locationinpatent:Page/Pagecolumn15-17

[3]Locationinpatent:experimentalpartChancellor,DanielR.;Davies,KayE.;DeMoor,Olivier;Dorgan,ColinR.;Johnson,PeterD.;Lambert,AdamG.;Lawrence,Daniel;Lecci,Cristina;Maillol,Carole;Middleton,PennyJ.;Nugent,Gary;Poignant,SéverineD.;Potter,AllysonC.;Price,PaulD.;Pye,RichardJ.;Storer,Richard;Tinsley,JonathonM.;VanWell,Renate;Vickers,Richard;Vile,Julia;Wilkes,FraserJ.;Wilson,FrancisX.;Wren,StephenP.;Wynne,GrahamM.[JournalofMedicinalChemistry,2011,vol.54,#9,p.3241-3250]

[1]CurrentPatentAssignee:SUMMITTHERAPEUTICSPLC-WO2017/168151,2017,A1Locationinpatent:Page/Pagecolumn18

[1]CurrentPatentAssignee:SUMMITTHERAPEUTICSPLC-WO2017/168151,2017,A1

Literature

Title: Discovery of 2-arylbenzoxazoles as upregulators of utrophin production for the treatment of Duchenne muscular dystrophy.

Journal: Journal of medicinal chemistry 20110512

Title: Importance of the aromatic ring in adrenergic amines. 2. Synthesis and adrenergic activity of some nonaromatic six- and eight-membered ring analogs of beta-phenylethanolamine.

Journal: Journal of medicinal chemistry 19760101

Title: Chancellor DR, et al. Discovery of 2-arylbenzoxazoles as upregulators of utrophin production for the treatment of Duchenne muscular dystrophy. J Med Chem. 2011;54(9):3241-3250.

Title: Chatzopoulou M, et al. Isolation, Structural Identification, Synthesis, and Pharmacological Profiling of 1,2-trans-Dihydro-1,2-diol Metabolites of the Utrophin Modulator Ezutromid. J Med Chem. 2020;63(5):2547-2556.

Title: Tinsley JM et al. Daily treatment with SMTC1100, a novel small molecule utrophin upregulator, dramatically reduces the dystrophic symptoms in the mdx mouse. PLoS One. 2011 May 6;6(5):e19189.

Title: Tinsley J et al. Safety, tolerability, and pharmacokinetics of SMT C1100, a 2-arylbenzoxazole utrophin modulator, following single- and multiple-dose administration to healthy male adult volunteers. J Clin Pharmacol. 2015 Jun;55(6):698-707.

Title: Guiraud S et al. Second-generation compound for the modulation of utrophin in the therapy of DMD. Hum Mol Genet. 2015 Aug 1;24(15):4212-24.

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SDS
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 922993-71-3

922993-71-3
Tags:945531-77-1 Molecular Formula|945531-77-1 MDL|945531-77-1 SMILES|945531-77-1 Ezutromid
Catalog No.: AA01E9G8
945531-77-1,MFCD30343856
945531-77-1 | Ezutromid
Pack Size： 1mg
Purity： ≥98%
in stock
$48.00 $33.00
Pack Size： 5mg
Purity： ≥98%
in stock
$205.00 $143.00
Pack Size： 10mg
Purity： 99%
in stock
$303.00 $212.00
Pack Size： 50mg
Purity： 99%
in stock
$942.00 $659.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01E9G8
Chemical Name: Ezutromid
CAS Number: 945531-77-1
Molecular Formula: C19H15NO3S
Molecular Weight: 337.3923
MDL Number: MFCD30343856
SMILES: CCS(=O)(=O)c1ccc2c(c1)nc(o2)c1ccc2c(c1)cccc2
Properties
Complexity: 543  
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: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.3  
Downstream Synthesis Route
43115-40-8    2243-83-6    945531-77-1 

[1]CurrentPatentAssignee:SUMMITTHERAPEUTICSPLC-US2009/48314,2009,A1Locationinpatent:Page/Pagecolumn6

[2]CurrentPatentAssignee:SUMMITTHERAPEUTICSPLC-WO2009/21748,2009,A2Locationinpatent:Page/Pagecolumn15-17

[3]Locationinpatent:experimentalpartChancellor,DanielR.;Davies,KayE.;DeMoor,Olivier;Dorgan,ColinR.;Johnson,PeterD.;Lambert,AdamG.;Lawrence,Daniel;Lecci,Cristina;Maillol,Carole;Middleton,PennyJ.;Nugent,Gary;Poignant,SéverineD.;Potter,AllysonC.;Price,PaulD.;Pye,RichardJ.;Storer,Richard;Tinsley,JonathonM.;VanWell,Renate;Vickers,Richard;Vile,Julia;Wilkes,FraserJ.;Wilson,FrancisX.;Wren,StephenP.;Wynne,GrahamM.[JournalofMedicinalChemistry,2011,vol.54,#9,p.3241-3250]

1477468-92-0    945531-77-1 

[1]CurrentPatentAssignee:SUMMITTHERAPEUTICSPLC-WO2017/168151,2017,A1Locationinpatent:Page/Pagecolumn18

43115-40-8    945531-77-1 

[1]CurrentPatentAssignee:SUMMITTHERAPEUTICSPLC-WO2017/168151,2017,A1

Literature fold

Title: Discovery of 2-arylbenzoxazoles as upregulators of utrophin production for the treatment of Duchenne muscular dystrophy.

Journal: Journal of medicinal chemistry20110512

Title: Importance of the aromatic ring in adrenergic amines. 2. Synthesis and adrenergic activity of some nonaromatic six- and eight-membered ring analogs of beta-phenylethanolamine.

Journal: Journal of medicinal chemistry19760101

Title: Chancellor DR, et al. Discovery of 2-arylbenzoxazoles as upregulators of utrophin production for the treatment of Duchenne muscular dystrophy. J Med Chem. 2011;54(9):3241-3250.

Title: Chatzopoulou M, et al. Isolation, Structural Identification, Synthesis, and Pharmacological Profiling of 1,2-trans-Dihydro-1,2-diol Metabolites of the Utrophin Modulator Ezutromid. J Med Chem. 2020;63(5):2547-2556.

Title: Tinsley JM et al. Daily treatment with SMTC1100, a novel small molecule utrophin upregulator, dramatically reduces the dystrophic symptoms in the mdx mouse. PLoS One. 2011 May 6;6(5):e19189.

Title: Tinsley J et al. Safety, tolerability, and pharmacokinetics of SMT C1100, a 2-arylbenzoxazole utrophin modulator, following single- and multiple-dose administration to healthy male adult volunteers. J Clin Pharmacol. 2015 Jun;55(6):698-707.

Title: Guiraud S et al. Second-generation compound for the modulation of utrophin in the therapy of DMD. Hum Mol Genet. 2015 Aug 1;24(15):4212-24.

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Historical Records
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922993-71-3
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