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1221186-53-3,MFCD23160747
Catalog No.:AA009BMH

1221186-53-3 | Tepp-46

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1mg
≥95%
in stock  
$68.00   $47.00
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5mg
≥95%
in stock  
$182.00   $127.00
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10mg
≥95%
in stock  
$295.00   $206.00
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25mg
≥95%
in stock  
$565.00   $395.00
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50mg
98%
in stock  
$1,011.00   $708.00
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100mg
98%
in stock  
$1,436.00   $1,005.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA009BMH
Chemical Name:
Tepp-46
CAS Number:
1221186-53-3
Molecular Formula:
C17H16N4O2S2
Molecular Weight:
372.4645
MDL Number:
MFCD23160747
SMILES:
Nc1cccc(c1)Cn1ncc2c(c1=O)n(C)c1c2sc(c1)S(=O)C
Properties
Computed Properties
 
Complexity:
601  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.3  

Downstream Synthesis Route
C17H16N4OS2 
  1221186-53-3 

[1]Jiang,Jian-kang;Boxer,MatthewB.;VanderHeiden,MatthewG.;Shen,Min;Skoumbourdis,AmandaP.;Southall,Noel;Veith,Henrike;Leister,William;Austin,ChristopherP.;Park,HeeWon;Inglese,James;Cantley,LewisC.;Auld,DouglasS.;Thomas,CraigJ.[BioorganicandMedicinalChemistryLetters,2010,vol.20,#11,p.3387-3393]

531-81-7    1221186-53-3   
C27H20N4O5S2 

[1]Wang,Dong;Li,Chunmeng;Zhu,Ya;Song,Yunxia;Lu,Sheng;Sun,Huiyong;Hao,Haiping;Xu,Xiaowei[AnalyticalChemistry,2021,vol.93,#37,p.12682-12689]

1221186-53-3   
(E)-4-(4-(4-(carboxymethyl)piperazin-1-yl)styryl)-1-ethylpyridin-1-ium 
 
(E)-1-ethyl-4-(4-(4-(2-((3-((4-methyl-2-(methylsulfinyl)-5-oxo-4,5-dihydro-6H-thieno2',3':4,5pyrrolo2,3-dpyridazin-6-yl)methyl)phenyl)amino)-2-oxoethyl)piperazin-1-yl)styryl)pyridin-1-ium 

[1]Zhang,Ya;Li,Huishan;Mai,Hailing;Luo,Dong;Ji,Xinpei;Liu,Zhengting;Peng,Shiyong;Xu,Xuetao;Zhang,Yinghui;Lan,Rongfeng;Li,Hongguang[ChemicalCommunications,2022,vol.58,#45,p.6494-6497]

1221186-53-3   
C21H26N3O2(1+) 
 
C38H40N7O3S2(1+) 

[1]CurrentPatentAssignee:UNIVWUYI-CN115010721,2022,ALocationinpatent:Paragraph0014;0052-0053;0057

Literature

Title: Identification of potent Yes1 kinase inhibitors using a library screening approach.

Journal: Bioorganic & medicinal chemistry letters 20130801

Title: Evaluation of thieno[3,2-b]pyrrole[3,2-d]pyridazinones as activators of the tumor cell specific M2 isoform of pyruvate kinase.

Journal: Bioorganic & medicinal chemistry letters 20100601

Title: Barbiturates block calcium uptake by stimulated and potassium-depolarized rat sympathetic ganglia.

Journal: The Journal of pharmacology and experimental therapeutics 19760101

Title: Anastasiou D, et al. Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis. Nat Chem Biol. 2012 Oct;8(10):839-847.

Title: Palsson-McDermott EM, et al. Pyruvate kinase M2 regulates Hif-1α activity and IL-1β induction and is a critical determinant of the warburg effect in LPS-activated macrophages. Cell Metab. 2015 Jan 6;21(1):65-80.

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