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18791-21-4,MFCD01690307
Catalog No.:AA00AQIK

18791-21-4 | 3-Hydroxy-N-[(2Z,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(3-pyridylmethyl)-1,4-dioxa-8-azacyclododeca-6-yl]-2-pyridinecarboxamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
2.5mg
≥95%
in stock  
$1,688.00   $1,181.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00AQIK
Chemical Name:
3-Hydroxy-N-[(2Z,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(3-pyridylmethyl)-1,4-dioxa-8-azacyclododeca-6-yl]-2-pyridinecarboxamide
CAS Number:
18791-21-4
Molecular Formula:
C27H32N4O8
Molecular Weight:
540.5650
MDL Number:
MFCD01690307
SMILES:
CC/C(=C/1\OC(=O)[C@H](C)[C@H](O)[C@@H](NC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c1ncccc1O)Cc1cccnc1)/C
Properties
Computed Properties
 
Complexity:
941  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
5  
XLogP3:
2.8  

Literature

Title: Methyl-thiazoles: a novel mode of inhibition with the potential to develop novel inhibitors targeting InhA in Mycobacterium tuberculosis.

Journal: Journal of medicinal chemistry 20131114

Title: Towards a new tuberculosis drug: pyridomycin - nature's isoniazid.

Journal: EMBO molecular medicine 20121001

Title: Identification and characterization of the pyridomycin biosynthetic gene cluster of Streptomyces pyridomyceticus NRRL B-2517.

Journal: The Journal of biological chemistry 20110610

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Tags:18791-21-4 Molecular Formula|18791-21-4 MDL|18791-21-4 SMILES|18791-21-4 3-Hydroxy-N-[(2Z,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(3-pyridylmethyl)-1,4-dioxa-8-azacyclododeca-6-yl]-2-pyridinecarboxamide
Catalog No.: AA00AQIK
18791-21-4,MFCD01690307
18791-21-4 | 3-Hydroxy-N-[(2Z,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(3-pyridylmethyl)-1,4-dioxa-8-azacyclododeca-6-yl]-2-pyridinecarboxamide
Pack Size： 2.5mg
Purity： ≥95%
in stock
$1,688.00 $1,181.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA00AQIK
Chemical Name: 3-Hydroxy-N-[(2Z,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(3-pyridylmethyl)-1,4-dioxa-8-azacyclododeca-6-yl]-2-pyridinecarboxamide
CAS Number: 18791-21-4
Molecular Formula: C27H32N4O8
Molecular Weight: 540.5650
MDL Number: MFCD01690307
SMILES: CC/C(=C/1\OC(=O)[C@H](C)[C@H](O)[C@@H](NC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c1ncccc1O)Cc1cccnc1)/C
Properties
Complexity: 941  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 5  
Defined Bond Stereocenter Count: 1  
Heavy Atom Count: 39  
Hydrogen Bond Acceptor Count: 10  
Hydrogen Bond Donor Count: 4  
Rotatable Bond Count: 5  
XLogP3: 2.8  
Literature fold

Title: Methyl-thiazoles: a novel mode of inhibition with the potential to develop novel inhibitors targeting InhA in Mycobacterium tuberculosis.

Journal: Journal of medicinal chemistry20131114

Title: Towards a new tuberculosis drug: pyridomycin - nature's isoniazid.

Journal: EMBO molecular medicine20121001

Title: Identification and characterization of the pyridomycin biosynthetic gene cluster of Streptomyces pyridomyceticus NRRL B-2517.

Journal: The Journal of biological chemistry20110610

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