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1616113-45-1,MFCD28144726
Catalog No.:AA00ABO7

1616113-45-1 | Antibiotic-202

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Purity
Availability
Price(USD)
Quantity
  
5mg
in stock  
$479.00   $335.00
- +
25mg
in stock  
$1,263.00   $884.00
- +
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00ABO7
Chemical Name:
Antibiotic-202
CAS Number:
1616113-45-1
Molecular Formula:
C35H39NO11
Molecular Weight:
649.6843
MDL Number:
MFCD28144726
SMILES:
OC[C@H]1O[C@H](C#Cc2ccc3c(c2)C2(CCN(CC2)C(=O)C)c2c3ccc(c2)C#C[C@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)[C@H]([C@H]([C@@H]1O)O)O
Properties
Computed Properties
 
Complexity:
1190  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
8  
Rotatable Bond Count:
4  
XLogP3:
-0.8  

Literature

Title: Ramtohul, Yeeman K, et al. Preparation of mannose derivatives via coupling and click cycloaddition reactions for treating bacterial infections. From PCT Int. Appl. (2014), WO 2014100158 A1 20140626.

Title: W Reinisch, et al. P568 An open-label, multicenter, phase ib, pharmacokinetic (pk) and safety study of a fimh blocker, Sibofimloc (TAK-018/EB8018), in patients with Crohn’s disease (CD), Journal of Crohn's and Colitis, Volume 14, Issue Supplement_1, January 2020: S479–S480.

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