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1627091-47-7,MFCD30536362
Catalog No.:AA01E6RF

1627091-47-7 | MLi-2 - Bio-X

Pack Size
Purity
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1mg
≥98%
in stock  
$70.00   $49.00
- +
5mg
≥98%
in stock  
$289.00   $202.00
- +
10mg
≥98%
in stock  
$443.00   $310.00
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50mg
≥98%
in stock  
$1,790.00   $1,253.00
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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:
AA01E6RF
Chemical Name:
MLi-2 - Bio-X
CAS Number:
1627091-47-7
Molecular Formula:
C21H25N5O2
Molecular Weight:
379.4555
MDL Number:
MFCD30536362
SMILES:
C[C@@H]1O[C@H](C)CN(C1)c1ncnc(c1)c1n[nH]c2c1cc(cc2)OC1(C)CC1
Properties
Computed Properties
 
Complexity:
549  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.2  

Downstream Synthesis Route

[1]Scott,JackD.;DeMong,DuaneE.;Greshock,ThomasJ.;Basu,Kallol;Dai,Xing;Harris,Joel;Hruza,Alan;Li,SarahW.;Lin,Sue-Ing;Liu,Hong;Macala,MeganK.;Hu,Zhiyong;Mei,Hong;Zhang,Honglu;Walsh,Paul;Poirier,Marc;Shi,Zhi-Cai;Xiao,Li;Agnihotri,Gautam;Baptista,MarcoA.S.;Columbus,John;Fell,MatthewJ.;Hyde,LynnA.;Kuvelkar,Reshma;Lin,Yinghui;Mirescu,Christian;Morrow,JohnA.;Yin,Zhizhang;Zhang,Xiaoping;Zhou,Xiaoping;Chang,RonaldK.;Embrey,MarkW.;Sanders,JohnM.;Tiscia,HeatherE.;Drolet,RobertE.;Kern,JonathanT.;Sur,SylvieM.;Renger,JohnJ.;Bilodeau,MarkT.;Kennedy,MatthewE.;Parker,EricM.;Stamford,AndrewW.;Nargund,Ravi;McCauley,JohnA.;Miller,MichaelW.[JournalofMedicinalChemistry,2017,vol.60,#7,p.2983-2992]

[1]Scott,JackD.;DeMong,DuaneE.;Greshock,ThomasJ.;Basu,Kallol;Dai,Xing;Harris,Joel;Hruza,Alan;Li,SarahW.;Lin,Sue-Ing;Liu,Hong;Macala,MeganK.;Hu,Zhiyong;Mei,Hong;Zhang,Honglu;Walsh,Paul;Poirier,Marc;Shi,Zhi-Cai;Xiao,Li;Agnihotri,Gautam;Baptista,MarcoA.S.;Columbus,John;Fell,MatthewJ.;Hyde,LynnA.;Kuvelkar,Reshma;Lin,Yinghui;Mirescu,Christian;Morrow,JohnA.;Yin,Zhizhang;Zhang,Xiaoping;Zhou,Xiaoping;Chang,RonaldK.;Embrey,MarkW.;Sanders,JohnM.;Tiscia,HeatherE.;Drolet,RobertE.;Kern,JonathanT.;Sur,SylvieM.;Renger,JohnJ.;Bilodeau,MarkT.;Kennedy,MatthewE.;Parker,EricM.;Stamford,AndrewW.;Nargund,Ravi;McCauley,JohnA.;Miller,MichaelW.[JournalofMedicinalChemistry,2017,vol.60,#7,p.2983-2992]

[1]Scott,JackD.;DeMong,DuaneE.;Greshock,ThomasJ.;Basu,Kallol;Dai,Xing;Harris,Joel;Hruza,Alan;Li,SarahW.;Lin,Sue-Ing;Liu,Hong;Macala,MeganK.;Hu,Zhiyong;Mei,Hong;Zhang,Honglu;Walsh,Paul;Poirier,Marc;Shi,Zhi-Cai;Xiao,Li;Agnihotri,Gautam;Baptista,MarcoA.S.;Columbus,John;Fell,MatthewJ.;Hyde,LynnA.;Kuvelkar,Reshma;Lin,Yinghui;Mirescu,Christian;Morrow,JohnA.;Yin,Zhizhang;Zhang,Xiaoping;Zhou,Xiaoping;Chang,RonaldK.;Embrey,MarkW.;Sanders,JohnM.;Tiscia,HeatherE.;Drolet,RobertE.;Kern,JonathanT.;Sur,SylvieM.;Renger,JohnJ.;Bilodeau,MarkT.;Kennedy,MatthewE.;Parker,EricM.;Stamford,AndrewW.;Nargund,Ravi;McCauley,JohnA.;Miller,MichaelW.[JournalofMedicinalChemistry,2017,vol.60,#7,p.2983-2992]

[1]Scott,JackD.;DeMong,DuaneE.;Greshock,ThomasJ.;Basu,Kallol;Dai,Xing;Harris,Joel;Hruza,Alan;Li,SarahW.;Lin,Sue-Ing;Liu,Hong;Macala,MeganK.;Hu,Zhiyong;Mei,Hong;Zhang,Honglu;Walsh,Paul;Poirier,Marc;Shi,Zhi-Cai;Xiao,Li;Agnihotri,Gautam;Baptista,MarcoA.S.;Columbus,John;Fell,MatthewJ.;Hyde,LynnA.;Kuvelkar,Reshma;Lin,Yinghui;Mirescu,Christian;Morrow,JohnA.;Yin,Zhizhang;Zhang,Xiaoping;Zhou,Xiaoping;Chang,RonaldK.;Embrey,MarkW.;Sanders,JohnM.;Tiscia,HeatherE.;Drolet,RobertE.;Kern,JonathanT.;Sur,SylvieM.;Renger,JohnJ.;Bilodeau,MarkT.;Kennedy,MatthewE.;Parker,EricM.;Stamford,AndrewW.;Nargund,Ravi;McCauley,JohnA.;Miller,MichaelW.[JournalofMedicinalChemistry,2017,vol.60,#7,p.2983-2992]

Literature

Title: Fell MJ, et al. MLi-2, a Potent, Selective, and Centrally Active Compound for Exploring the Therapeutic Potential and Safety of LRRK2 Kinase Inhibition. J Pharmacol Exp Ther. 2015 Dec;355(3):397-409.

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SDS
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