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Home Amines 211914-50-0
211914-50-0,MFCD09833628
Catalog No.:AA00I3Z3

211914-50-0 | N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
95%
1 week  
$111.00   $78.00
- +
10mg
95%
1 week  
$159.00   $112.00
- +
25mg
95%
1 week  
$244.00   $171.00
- +
50mg
95%
1 week  
$387.00   $271.00
- +
100mg
95%
1 week  
$570.00   $399.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA00I3Z3
Chemical Name:
N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
CAS Number:
211914-50-0
Molecular Formula:
C27H30ClN7O3
Molecular Weight:
536.0252
MDL Number:
MFCD09833628
SMILES:
CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C.Cl
Properties
Computed Properties
 
Complexity:
788  
Covalently-Bonded Unit Count:
2  
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
11  

Literature

Title: Michaelis S, et al. Dabigatran and dabigatran ethyl ester: potent inhibitors of ribosyldihydronicotinamide dehydrogenase (NQO2). J Med Chem. 2012 Apr 26;55(8):3934-44.

Title: Eisert WG, et al. Dabigatran: an oral novel potent reversible nonpeptide inhibitor of thrombin. Arterioscler Thromb Vasc Biol. 2010 Oct;30(10):1885-9.

Title: Hauel NH, et al. Structure-based design of novel potent nonpeptide thrombin inhibitors. J Med Chem. 2002 Apr 25;45(9):1757-66.

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SDS
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Tags:211914-50-0 Molecular Formula|211914-50-0 MDL|211914-50-0 SMILES|211914-50-0 N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride