1009119-64-5,MFCD18074519
Catalog No.:AA00033S

1009119-64-5 | Carbamic acid, N,N'-[[1,1'-biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl[(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-, C,C'-dimethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25mg
98%(HPLC)
in stock  
$43.00   $30.00
- +
100mg
98%
in stock  
$57.00   $40.00
- +
250mg
98%
in stock  
$92.00   $64.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00033S
Chemical Name:
Carbamic acid, N,N'-[[1,1'-biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl[(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-, C,C'-dimethyl ester
CAS Number:
1009119-64-5
Molecular Formula:
C40H50N8O6
Molecular Weight:
738.8750
MDL Number:
MFCD18074519
SMILES:
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)c1ccc(cc1)c1ccc(cc1)c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)C(C)C
Properties
Computed Properties
 
Complexity:
1190  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0  
Rotatable Bond Count:
13  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
5.1  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ANHUIYELLENPHARMACEUTICAL-CN107501243,2017,ALocationinpatent:Paragraph0021

[2]CurrentPatentAssignee:CIPLALTD-WO2016/102979,2016,A1Locationinpatent:Page/Pagecolumn27

[3]CurrentPatentAssignee:JIANGSUSULIFINECHEMICAL-CN105753844,2016,ALocationinpatent:Paragraph0044;0045

[4]CurrentPatentAssignee:VIATRISINC-WO2016/178250,2016,A1Locationinpatent:Page/Pagecolumn26

[5]CurrentPatentAssignee:LAURUSLABSLIMITED-WO2017/21904,2017,A1Locationinpatent:Page/Pagecolumn24;25

[6]CurrentPatentAssignee:SICHUANTONGSHENGBIOPHARMACEUTICAL-CN106256825,2016,ALocationinpatent:Paragraph0071-0073

[7]CurrentPatentAssignee:GLENMARKPHARMACEUTICALSLTD-WO2018/15847,2018,A1Locationinpatent:Paragraph0130;0131

[8]CurrentPatentAssignee:MSNLABORATORIESPRIVATELIMITED-WO2018/134842,2018,A1Locationinpatent:Page/Pagecolumn36-37

1009119-64-5   
C40H50N8O6 

[1]Yu,Guang-Xiang;Lin,Chien-Hsiang;Liu,You-Xuan;Yi,Rong-Huei;Chen,Guan-Yu;Lu,Chin-Wei;Su,Hai-Ching[Chemistry-AEuropeanJournal,2019,vol.25,#60,p.13748-13758]

(R)-2-tert-butoxycarbonyl(methoxyformyl)amino-3-methylbutanoicacid 
  1009119-64-5 

[1]CurrentPatentAssignee:NANTONGCHANGYOUMEDICINETECH-CN110878090,2020,A

C50H66N4O16 
  1009119-64-5 

[1]CurrentPatentAssignee:NANTONGCHANGYOUMEDICINETECH-CN110878090,2020,A

C50H66N8O10 
  1009119-64-5 

[1]CurrentPatentAssignee:NANTONGCHANGYOUMEDICINETECH-CN110878090,2020,ALocationinpatent:Paragraph0027;0032-0033

Literature

Title: Min Gao, et al. Chemical genetics strategy identifies an HCV NS5A inhibitor with a potent clinical effect. Nature. 2010 May 6;465(7294):96-100.

Title: David B Ascher, et al. Potent hepatitis C inhibitors bind directly to NS5A and reduce its affinity for RNA. Sci Rep. 2014 Apr 23;4:4765.

Title: Tomomi Furihata, et al. Different interaction profiles of direct-acting anti-hepatitis C virus agents with human organic anion transporting polypeptides. Antimicrob Agents Chemother. 2014 Aug;58(8):4555-64.

Title: Seung-Hoon Lee, et al. HA1077 displays synergistic activity with daclatasvir against hepatitis C virus and suppresses the emergence of NS5A resistance-associated substitutions in mice. Sci Rep. 2018 Aug 20;8(1):12469.

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Additional Info:
SDS
Tags:1009119-64-5 Molecular Formula|1009119-64-5 MDL|1009119-64-5 SMILES|1009119-64-5 Carbamic acid, N,N'-[[1,1'-biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl[(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-, C,C'-dimethyl ester
Catalog No.: AA00033S
1009119-64-5,MFCD18074519
1009119-64-5 | Carbamic acid, N,N'-[[1,1'-biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl[(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-, C,C'-dimethyl ester
Pack Size: 25mg
Purity: 98%(HPLC)
in stock
$43.00 $30.00
Pack Size: 100mg
Purity: 98%
in stock
$57.00 $40.00
Pack Size: 250mg
Purity: 98%
in stock
$92.00 $64.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00033S
Chemical Name: Carbamic acid, N,N'-[[1,1'-biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl[(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-, C,C'-dimethyl ester
CAS Number: 1009119-64-5
Molecular Formula: C40H50N8O6
Molecular Weight: 738.8750
MDL Number: MFCD18074519
SMILES: COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)c1ccc(cc1)c1ccc(cc1)c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)C(C)C
Properties
Complexity: 1190  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 4  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 54  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 4  
Isotope Atom Count: 0  
Rotatable Bond Count: 13  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 5.1  
Downstream Synthesis Route
1009119-64-5    1009119-65-6 

[1]CurrentPatentAssignee:ANHUIYELLENPHARMACEUTICAL-CN107501243,2017,ALocationinpatent:Paragraph0021

[2]CurrentPatentAssignee:CIPLALTD-WO2016/102979,2016,A1Locationinpatent:Page/Pagecolumn27

[3]CurrentPatentAssignee:JIANGSUSULIFINECHEMICAL-CN105753844,2016,ALocationinpatent:Paragraph0044;0045

[4]CurrentPatentAssignee:VIATRISINC-WO2016/178250,2016,A1Locationinpatent:Page/Pagecolumn26

[5]CurrentPatentAssignee:LAURUSLABSLIMITED-WO2017/21904,2017,A1Locationinpatent:Page/Pagecolumn24;25

[6]CurrentPatentAssignee:SICHUANTONGSHENGBIOPHARMACEUTICAL-CN106256825,2016,ALocationinpatent:Paragraph0071-0073

[7]CurrentPatentAssignee:GLENMARKPHARMACEUTICALSLTD-WO2018/15847,2018,A1Locationinpatent:Paragraph0130;0131

[8]CurrentPatentAssignee:MSNLABORATORIESPRIVATELIMITED-WO2018/134842,2018,A1Locationinpatent:Page/Pagecolumn36-37

1009119-64-5   
C40H50N8O6 

[1]Yu,Guang-Xiang;Lin,Chien-Hsiang;Liu,You-Xuan;Yi,Rong-Huei;Chen,Guan-Yu;Lu,Chin-Wei;Su,Hai-Ching[Chemistry-AEuropeanJournal,2019,vol.25,#60,p.13748-13758]

(R)-2-tert-butoxycarbonyl(methoxyformyl)amino-3-methylbutanoicacid 
  1009119-64-5 

[1]CurrentPatentAssignee:NANTONGCHANGYOUMEDICINETECH-CN110878090,2020,A

C50H66N4O16 
  1009119-64-5 

[1]CurrentPatentAssignee:NANTONGCHANGYOUMEDICINETECH-CN110878090,2020,A

C50H66N8O10 
  1009119-64-5 

[1]CurrentPatentAssignee:NANTONGCHANGYOUMEDICINETECH-CN110878090,2020,ALocationinpatent:Paragraph0027;0032-0033

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