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Home Amines 317353-73-4
317353-73-4,MFCD18086906
Catalog No.:AA00CHKL

317353-73-4 | 1-[[(3S)-4-[2-[4-[[[(2-Methylphenyl)amino]carbonyl]amino]phenyl]acety]l-3-morpholinyl]carbonyl]-4-piperidinediaceticacid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$129.00   $90.00
- +
5mg
98%
in stock  
$343.00   $240.00
- +
10mg
98%
in stock  
$452.00   $317.00
- +
50mg
98%
in stock  
$1,665.00   $1,165.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00CHKL
Chemical Name:
1-[[(3S)-4-[2-[4-[[[(2-Methylphenyl)amino]carbonyl]amino]phenyl]acety]l-3-morpholinyl]carbonyl]-4-piperidinediaceticacid
CAS Number:
317353-73-4
Molecular Formula:
C28H34N4O6
Molecular Weight:
522.5928
MDL Number:
MFCD18086906
SMILES:
O=C(Nc1ccccc1C)Nc1ccc(cc1)CC(=O)N1CCOC[C@H]1C(=O)N1CCC(CC1)CC(=O)O
Properties
Computed Properties
 
Complexity:
837  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
7  
XLogP3:
1.7  

Literature

Title: Discovery of trans-4-[1-[[2,5-Dichloro-4-(1-methyl-3-indolylcarboxamido)phenyl]acetyl]-(4S)-methoxy-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid: an orally active, selective very late antigen-4 antagonist.

Journal: Journal of medicinal chemistry 20091224

Title: Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists.

Journal: Bioorganic & medicinal chemistry 20070215

Title: Muro F, et al. Discovery of trans-4--[,5-Dichloro-4-(1-methyl-3-indolylcarboxamido)phenylacetyl-(4S)-methoxy-(2S)-pyrrolidinylmethoxycyclohexanecarboxylic acid: an orally active, selective very late antigen-4 antagonist. J Med Chem. 2009 Dec 24;52(24):7974-92.

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Tags:317353-73-4 Molecular Formula|317353-73-4 MDL|317353-73-4 SMILES|317353-73-4 1-[[(3S)-4-[2-[4-[[[(2-Methylphenyl)amino]carbonyl]amino]phenyl]acety]l-3-morpholinyl]carbonyl]-4-piperidinediaceticacid