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Home Other Building Blocks 1227158-85-1
1227158-85-1,MFCD28143915
Catalog No.:AA009C6H

1227158-85-1 | Bay 87-2243

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$14.00   $10.00
- +
5mg
98%
in stock  
$34.00   $24.00
- +
10mg
98%
in stock  
$51.00   $36.00
- +
25mg
98%
in stock  
$84.00   $59.00
- +
50mg
98%
in stock  
$126.00   $89.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA009C6H
Chemical Name:
Bay 87-2243
CAS Number:
1227158-85-1
Molecular Formula:
C26H26F3N7O2
Molecular Weight:
525.5255
MDL Number:
MFCD28143915
SMILES:
Cc1cc(nn1Cc1ccnc(c1)N1CCN(CC1)C1CC1)c1onc(n1)c1ccc(cc1)OC(F)(F)F
Properties
Computed Properties
 
Complexity:
774  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
11  
Rotatable Bond Count:
7  
XLogP3:
4.7  

Upstream Synthesis Route

[1]Patent:US2013/196964,2013,A1,.Locationinpatent:Paragraph1599;1600;1601;1602;1603

[1]Patent:US2013/196964,2013,A1,

Downstream Synthesis Route

[1]Patent:US2013/196964,2013,A1.Locationinpatent:Paragraph1599;1600;1601;1602;1603

[1]Patent:US2013/196964,2013,A1.Locationinpatent:Paragraph1604;1605;1606;1607;1608

75-75-2    1227158-85-1   
1-cyclopropyl-4-{4-(5-methyl-3-{3-4-(trifluoromethoxy)phenyl-1,2,4-oxadiazol-5-yl}-1H-pyrazol-1-yl)methylpyridin-2-yl}piperazinemethanesulfonate 

[1]Patent:US2013/196964,2013,A1.Locationinpatent:Paragraph1609;1610;1611

[1]Patent:US2013/196964,2013,A1.Locationinpatent:Paragraph1612;1613;1614

[1]Patent:US2013/196964,2013,A1

Literature

Title: BAY 87-2243, a highly potent and selective inhibitor of hypoxia-induced gene activation has antitumor activities by inhibition of mitochondrial complex I.

Journal: Cancer medicine 20131001

Title: Ellinghaus P, et al. BAY 87-2243, a highly potent and selective inhibitor of hypoxia-induced gene activation has antitumor activities by inhibition of mitochondrial complex I. Cancer Med. 2013 Oct;2(5):611-24.

Title: Helbig L, et al. BAY 87-2243, a novel inhibitor of hypoxia-induced gene activation, improves local tumor control after fractionated irradiation in a schedule-dependent manner in head and neck human xenografts. Radiat Oncol. 2014 Sep 19;9:207.

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