Home Amines 226226-39-7
226226-39-7,MFCD16618399
Catalog No.:AA00C4FI

226226-39-7 | N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride

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1mg
1 week  
$144.00   $101.00
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5mg
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$271.00   $190.00
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10mg
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$375.00   $263.00
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25mg
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$594.00   $416.00
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50mg
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$831.00   $582.00
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100mg
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$1,135.00   $795.00
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500mg
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00C4FI
Chemical Name:
N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride
CAS Number:
226226-39-7
Molecular Formula:
C21H21ClF3N3O2
Molecular Weight:
439.8585
MDL Number:
MFCD16618399
SMILES:
O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1)Cl)CNC(=O)c1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
597  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
XLogP3:
3.8  

Literature

Title: Structural insights from binding poses of CCR2 and CCR5 with clinically important antagonists: a combined in silico study.

Journal: PloS one 20120101

Title: Synthesis and biological evaluation of 3-aminopyrrolidine derivatives as CC chemokine receptor 2 antagonists.

Journal: Bioorganic & medicinal chemistry letters 20100401

Title: Elucidation of binding sites of dual antagonists in the human chemokine receptors CCR2 and CCR5.

Journal: Molecular pharmacology 20090601

Title: Potent antagonists of the CCR2b receptor. Part 3: SAR of the (R)-3-aminopyrrolidine series.

Journal: Bioorganic & medicinal chemistry letters 20080315

Title: Moree WJ, et al. Potent antagonists of the CCR2b receptor. Part 3: SAR of the (R)-3-aminopyrrolidine series. Bioorg Med Chem Lett. 2008 Mar 15;18(6):1869-73.

Title: Hall SE, et al. Elucidation of binding sites of dual antagonists in the human chemokine receptors CCR2 and CCR5. Mol Pharmacol. 2009 Jun;75(6):1325-36.

Title: Calin M, et al. VCAM-1 directed target-sensitive liposomes carrying CCR2 antagonists bind to activated endothelium and reduce adhesion and transmigration of monocytes. Eur J Pharm Biopharm. 2015 Jan;89:18-29.

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SDS
Tags:226226-39-7 Molecular Formula|226226-39-7 MDL|226226-39-7 SMILES|226226-39-7 N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride