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1050670-85-3,MFCD20527743
Catalog No.:AA0035SL

1050670-85-3 | Ro 51

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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0035SL
Chemical Name:
Ro 51
CAS Number:
1050670-85-3
Molecular Formula:
C17H23IN4O4
Molecular Weight:
474.2934
MDL Number:
MFCD20527743
SMILES:
OCC(Nc1ncc(c(n1)N)Oc1cc(I)c(cc1C(C)C)OC)CO
Properties
Computed Properties
 
Complexity:
416  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
8  
XLogP3:
2.1  

Literature

Title: Medicinal chemistry of adenosine, P2Y and P2X receptors.

Journal: Neuropharmacology 20160501

Title: Identification and SAR of novel diaminopyrimidines. Part 2: The discovery of RO-51, a potent and selective, dual P2X(3)/P2X(2/3) antagonist for the treatment of pain.

Journal: Bioorganic & medicinal chemistry letters 20090315

Title: Alam Jahangir,et al. Identification and SAR of novel diaminopyrimidines. Part 2: The discovery of RO-51, a potent and selective, dual P2X(3)/P2X(2/3) antagonist for the treatment of pain. Bioorg Med Chem Lett. 2009 Mar 15;19(6):1632-5.

Title: Alexandre Serrano, et al. Differential Expression and Pharmacology of Native P2X Receptors in Rat and Primate Sensory Neurons. J Neurosci. 2012 Aug 22; 32(34): 11890–11896.

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