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Home Fluorides 1448754-43-5
1448754-43-5,MFCD30377215
Catalog No.:AA001K6X

1448754-43-5 | 1,4-Benzoxazepin-5(2H)-one, 3,4-dihydro-4-(2-pyrimidinylmethyl)-7-[4-(trifluoromethoxy)phenyl]-, hydrochloride (1:1)

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1mg
98%
in stock  
$17.00   $12.00
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5mg
98%
in stock  
$42.00   $29.00
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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:
AA001K6X
Chemical Name:
1,4-Benzoxazepin-5(2H)-one, 3,4-dihydro-4-(2-pyrimidinylmethyl)-7-[4-(trifluoromethoxy)phenyl]-, hydrochloride (1:1)
CAS Number:
1448754-43-5
Molecular Formula:
C21H17ClF3N3O3
Molecular Weight:
451.8262
MDL Number:
MFCD30377215
SMILES:
O=C1N(CCOc2c1cc(cc2)c1ccc(cc1)OC(F)(F)F)Cc1ncccn1.Cl
Properties
Computed Properties
 
Complexity:
578  
Covalently-Bonded Unit Count:
2  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  

Downstream Synthesis Route

[1]CurrentPatentAssignee:GILEADSCIENCESINC-WO2013/112932,2013,A1

[2]Zablocki,JeffA.;Elzein,Elfatih;Li,Xiaofen;Koltun,DmitryO.;Parkhill,EricQ.;Kobayashi,Tetsuya;Martinez,Ruben;Corkey,Britton;Jiang,Haibo;Perry,Thao;Kalla,Rao;Notte,GregoryT.;Saunders,Oliver;Graupe,Michael;Lu,Yafan;Venkataramani,Chandru;Guerrero,Juan;Perry,Jason;Osier,Mark;Strickley,Robert;Liu,Gongxin;Wang,Wei-Qun;Hu,Lufei;Li,Xiao-Jun;El-Bizri,Nesrine;Hirakawa,Ryoko;Kahlig,Kris;Xie,Cheng;Li,CindyHong;Dhalla,ArvinderK.;Rajamani,Sridharan;Mollova,Nevena;Soohoo,Daniel;Lepist,Eve-Irene;Murray,Bernard;Rhodes,Gerry;Belardinelli,Luiz;Desai,ManojC.[JournalofMedicinalChemistry,2016,vol.59,#19,p.9005-9017]

[1]Patent:WO2013/112932,2013,A1

[2]JournalofMedicinalChemistry,2016,vol.59,p.9005-9017

[1]Patent:WO2013/112932,2013,A1.Locationinpatent:Paragraph0201

[2]JournalofMedicinalChemistry,2016,vol.59,p.9005-9017

C14H12BrN3O2*ClH 
  1448754-43-5 

[1]CurrentPatentAssignee:GILEADSCIENCESINC-WO2013/112932,2013,A1

7-bromo-4-(pyrimidin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one 
  1448754-43-5 

[1]Zablocki,JeffA.;Elzein,Elfatih;Li,Xiaofen;Koltun,DmitryO.;Parkhill,EricQ.;Kobayashi,Tetsuya;Martinez,Ruben;Corkey,Britton;Jiang,Haibo;Perry,Thao;Kalla,Rao;Notte,GregoryT.;Saunders,Oliver;Graupe,Michael;Lu,Yafan;Venkataramani,Chandru;Guerrero,Juan;Perry,Jason;Osier,Mark;Strickley,Robert;Liu,Gongxin;Wang,Wei-Qun;Hu,Lufei;Li,Xiao-Jun;El-Bizri,Nesrine;Hirakawa,Ryoko;Kahlig,Kris;Xie,Cheng;Li,CindyHong;Dhalla,ArvinderK.;Rajamani,Sridharan;Mollova,Nevena;Soohoo,Daniel;Lepist,Eve-Irene;Murray,Bernard;Rhodes,Gerry;Belardinelli,Luiz;Desai,ManojC.[JournalofMedicinalChemistry,2016,vol.59,#19,p.9005-9017]

Literature

Title: Bacic D, et al. Eleclazine, an inhibitor of the cardiac late sodium current, is superior to flecainide in suppressing catecholamine-induced ventricular tachycardia and T-wave alternans in an intact porcine model. Heart Rhythm. 2017 Mar;14(3):448-454.

Title: Rajamani S et al. The novel late Na+ current inhibitor, GS-6615 (eleclazine) and its anti-arrhythmic effects in rabbit isolated heart preparations. Br J Pharmacol. 2016 Jul 23.

Title: Potet F, Egecioglu DE, Burridge PW, George AL Jr. GS-967 and Eleclazine Block Sodium Channels in Human Induced Pluripotent Stem Cell-Derived Cardiomyocytes. Mol Pharmacol. 2020 Nov;98(5):540-547.

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Tags:1448754-43-5 Molecular Formula|1448754-43-5 MDL|1448754-43-5 SMILES|1448754-43-5 1,4-Benzoxazepin-5(2H)-one, 3,4-dihydro-4-(2-pyrimidinylmethyl)-7-[4-(trifluoromethoxy)phenyl]-, hydrochloride (1:1)