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202821-81-6,MFCD00083578
Catalog No.:AA0028DG

202821-81-6 | 1,3,4-Oxadiazol-2(3H)-one, 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98% by HPLC
in stock  
$81.00   $57.00
- +
5mg
≥95%
in stock  
$129.00   $90.00
- +
10mg
≥95%
in stock  
$245.00   $171.00
- +
25mg
≥95%
in stock  
$572.00   $400.00
- +
50mg
≥95%
in stock  
$1,015.00   $710.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0028DG
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one, 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-
CAS Number:
202821-81-6
Molecular Formula:
C16H10ClF3N2O3
Molecular Weight:
370.7104
MDL Number:
MFCD00083578
SMILES:
Clc1ccc(c(c1)Cn1nc(oc1=O)c1ccc(cc1)C(F)(F)F)O
Properties
Computed Properties
 
Complexity:
535  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
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]Hewawasam,Piyasena;Ding,Min;Chen,Nathan;King,Dalton;Knipe,Jay;Pajor,Lorraine;Ortiz,Astrid;Gribkoff,ValentinK.;Starrett,John[BioorganicandMedicinalChemistryLetters,2003,vol.13,#10,p.1695-1698]

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US5939405,1999,A

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-EP1056754,2003,B1

[3]Hewawasam,Piyasena;Ding,Min;Chen,Nathan;King,Dalton;Knipe,Jay;Pajor,Lorraine;Ortiz,Astrid;Gribkoff,ValentinK.;Starrett,John[BioorganicandMedicinalChemistryLetters,2003,vol.13,#10,p.1695-1698]

[4]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US6034113,2000,A

[1]Hewawasam,Piyasena;Ding,Min;Chen,Nathan;King,Dalton;Knipe,Jay;Pajor,Lorraine;Ortiz,Astrid;Gribkoff,ValentinK.;Starrett,John[BioorganicandMedicinalChemistryLetters,2003,vol.13,#10,p.1695-1698]

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US5939405,1999,A

[3]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-EP1056754,2003,B1

60853-81-8    202821-81-6   
dimethylamino-aceticacid4-chloro-2-2-oxo-5-(4-trifluoromethyl-phenyl)-1,3,4oxadiazol-3-ylmethyl-phenylester 

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,p.1695-1698

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US5939405,1999,A

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-EP1056754,2003,B1

[3]Hewawasam,Piyasena;Ding,Min;Chen,Nathan;King,Dalton;Knipe,Jay;Pajor,Lorraine;Ortiz,Astrid;Gribkoff,ValentinK.;Starrett,John[BioorganicandMedicinalChemistryLetters,2003,vol.13,#10,p.1695-1698]

Literature

Title: Vasodilation of retinal arterioles induced by activation of BKCa channels is attenuated in diabetic rats.

Journal: European journal of pharmacology 20111101

Title: Role of calcium-activated potassium channels in acetylcholine-induced vasodilation of rat retinal arterioles in vivo.

Journal: Naunyn-Schmiedeberg's archives of pharmacology 20110101

Title: BMS-191011, an opener of large-conductance Ca2+-activated potassium channels, dilates rat retinal arterioles in vivo.

Journal: Biological & pharmaceutical bulletin 20110101

Title: 3-[(5-Chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl ]-1,3,4-oxadiazol-2(3H)-one, BMS-191011: opener of large-conductance Ca(2+)-activated potassium (maxi-K) channels, identification, solubility, and SAR.

Journal: Journal of medicinal chemistry 20070208

Title: Synthesis of water-soluble prodrugs of BMS-191011: a maxi-K channel opener targeted for post-stroke neuroprotection.

Journal: Bioorganic & medicinal chemistry letters 20030519

Title: Romine JL, et al. 3-[(5-Chloro-2-hydroxyphenyl)methyl-5--(trifluoromethyl)phenyl -1,3,4-oxadiazol-2(3H)-one, BMS-191011: opener of large-conductance Ca(2+)-activated potassium (maxi-K) channels, identification, solubility, and SAR. J Med Chem. 2007 Feb 8;50(3):528-42.

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Tags:202821-81-6 Molecular Formula|202821-81-6 MDL|202821-81-6 SMILES|202821-81-6 1,3,4-Oxadiazol-2(3H)-one, 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-
Catalog No.: AA0028DG
202821-81-6,MFCD00083578
202821-81-6 | 1,3,4-Oxadiazol-2(3H)-one, 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-
Pack Size： 1mg
Purity： 98% by HPLC
in stock
$81.00 $57.00
Pack Size： 5mg
Purity： ≥95%
in stock
$129.00 $90.00
Pack Size： 10mg
Purity： ≥95%
in stock
$245.00 $171.00
Pack Size： 25mg
Purity： ≥95%
in stock
$572.00 $400.00
Pack Size： 50mg
Purity： ≥95%
in stock
$1,015.00 $710.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0028DG
Chemical Name: 1,3,4-Oxadiazol-2(3H)-one, 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-
CAS Number: 202821-81-6
Molecular Formula: C16H10ClF3N2O3
Molecular Weight: 370.7104
MDL Number: MFCD00083578
SMILES: Clc1ccc(c(c1)Cn1nc(oc1=O)c1ccc(cc1)C(F)(F)F)O
Properties
Complexity: 535  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 25  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.3  
Downstream Synthesis Route
75-44-5    202821-81-6    234433-31-9 

[1]Hewawasam,Piyasena;Ding,Min;Chen,Nathan;King,Dalton;Knipe,Jay;Pajor,Lorraine;Ortiz,Astrid;Gribkoff,ValentinK.;Starrett,John[BioorganicandMedicinalChemistryLetters,2003,vol.13,#10,p.1695-1698]

2373-51-5    202821-81-6    233676-37-4 

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US5939405,1999,A

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-EP1056754,2003,B1

[3]Hewawasam,Piyasena;Ding,Min;Chen,Nathan;King,Dalton;Knipe,Jay;Pajor,Lorraine;Ortiz,Astrid;Gribkoff,ValentinK.;Starrett,John[BioorganicandMedicinalChemistryLetters,2003,vol.13,#10,p.1695-1698]

[4]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US6034113,2000,A

990-91-0    202821-81-6    233676-36-3 

[1]Hewawasam,Piyasena;Ding,Min;Chen,Nathan;King,Dalton;Knipe,Jay;Pajor,Lorraine;Ortiz,Astrid;Gribkoff,ValentinK.;Starrett,John[BioorganicandMedicinalChemistryLetters,2003,vol.13,#10,p.1695-1698]

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US5939405,1999,A

[3]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-EP1056754,2003,B1

60853-81-8    202821-81-6   
dimethylamino-aceticacid4-chloro-2-2-oxo-5-(4-trifluoromethyl-phenyl)-1,3,4oxadiazol-3-ylmethyl-phenylester 

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,p.1695-1698

22128-62-7    202821-81-6    233676-40-9 

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US5939405,1999,A

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-EP1056754,2003,B1

[3]Hewawasam,Piyasena;Ding,Min;Chen,Nathan;King,Dalton;Knipe,Jay;Pajor,Lorraine;Ortiz,Astrid;Gribkoff,ValentinK.;Starrett,John[BioorganicandMedicinalChemistryLetters,2003,vol.13,#10,p.1695-1698]

Literature fold

Title: Vasodilation of retinal arterioles induced by activation of BKCa channels is attenuated in diabetic rats.

Journal: European journal of pharmacology20111101

Title: Role of calcium-activated potassium channels in acetylcholine-induced vasodilation of rat retinal arterioles in vivo.

Journal: Naunyn-Schmiedeberg's archives of pharmacology20110101

Title: BMS-191011, an opener of large-conductance Ca2+-activated potassium channels, dilates rat retinal arterioles in vivo.

Journal: Biological & pharmaceutical bulletin20110101

Title: 3-[(5-Chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl ]-1,3,4-oxadiazol-2(3H)-one, BMS-191011: opener of large-conductance Ca(2+)-activated potassium (maxi-K) channels, identification, solubility, and SAR.

Journal: Journal of medicinal chemistry20070208

Title: Synthesis of water-soluble prodrugs of BMS-191011: a maxi-K channel opener targeted for post-stroke neuroprotection.

Journal: Bioorganic & medicinal chemistry letters20030519

Title: Romine JL, et al. 3-[(5-Chloro-2-hydroxyphenyl)methyl-5--(trifluoromethyl)phenyl -1,3,4-oxadiazol-2(3H)-one, BMS-191011: opener of large-conductance Ca(2+)-activated potassium (maxi-K) channels, identification, solubility, and SAR. J Med Chem. 2007 Feb 8;50(3):528-42.

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Historical Records
21988-05-6
21988-05-6
2090026-70-1
2090026-70-1
890093-66-0
890093-66-0
573697-72-0
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