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847950-09-8,MFCD18782603
Catalog No.:AA00G3M3

847950-09-8 | Lck Inhibitor

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Purity
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5mg
≥98%(HPLC)
in stock  
$307.00   $215.00
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10mg
≥98%(HPLC)
in stock  
$456.00   $319.00
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25mg
≥98%(HPLC)
in stock  
$954.00   $668.00
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50mg
≥98%(HPLC)
in stock  
$1,659.00   $1,162.00
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100mg
≥98%(HPLC)
in stock  
$3,090.00   $2,163.00
- +
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00G3M3
Chemical Name:
Lck Inhibitor
CAS Number:
847950-09-8
Molecular Formula:
C31H30N8O
Molecular Weight:
530.6229
MDL Number:
MFCD18782603
SMILES:
CN1CCN(CC1)c1ccc(cc1)Nc1ncc2c(n1)n1c3ccccc3nc1n(c2=O)c1c(C)cccc1C
Properties
Computed Properties
 
Complexity:
879  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
5.2  

Literature

Title: Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity.

Journal: Journal of medicinal chemistry 20080327

Title: Martin, Matthew W.; Newcomb, John; Nunes, Joseph J.; et al. Structure-Based Design of Novel 2-Amino-6-phenyl-pyrimido',4':5,6pyrimido,2-abenzimidazol-5(6H)-ones as Potent and Orally Active Inhibitors of Lymphocyte Specific Kinase (Lck): Synthesis, SAR, and In Vivo Anti-Inflammatory Activity. Journal of Medicinal Chemistry (2008), 51(6), 1637-1648.

Title: Liew, Chin Y.; Ma, Xiao H.; Liu, Xianghui; Yap, Chun W. SVM Model for Virtual Screening of Lck Inhibitors. Journal of Chemical Information and Modeling (2009), 49(4), 877-885.

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