Home Other Building Blocks 1259296-46-2
1259296-46-2,MFCD29770783
Catalog No.:AA00A15Y

1259296-46-2 | MPI_5a

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$143.00   $100.00
- +
10mg
98%
in stock  
$397.00   $278.00
- +
50mg
98%
in stock  
$1,254.00   $878.00
- +
100mg
98%
in stock  
$1,736.00   $1,215.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00A15Y
Chemical Name:
MPI_5a
CAS Number:
1259296-46-2
Molecular Formula:
C16H17N3O3
Molecular Weight:
299.3245
MDL Number:
MFCD29770783
SMILES:
ONC(=O)c1ccc2c(c1)CCN(C2)C(=O)c1cccn1C
Properties
Computed Properties
 
Complexity:
442  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
0.8  

Downstream Synthesis Route

[1]Blackburn,Christopher;Barrett,Cynthia;Chin,Janice;Garcia,Kris;Gigstad,Kenneth;Gould,Alexandra;Gutierrez,Juan;Harrison,Sean;Hoar,Kara;Lynch,Chrissie;Rowland,R.Scott;Tsu,Chris;Ringeling,John;Xu,He[JournalofMedicinalChemistry,2013,vol.56,#18,p.7201-7211]

[2]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2010/151318,2010,A1Locationinpatent:Page/Pagecolumn117

[1]Blackburn,Christopher;Barrett,Cynthia;Chin,Janice;Garcia,Kris;Gigstad,Kenneth;Gould,Alexandra;Gutierrez,Juan;Harrison,Sean;Hoar,Kara;Lynch,Chrissie;Rowland,R.Scott;Tsu,Chris;Ringeling,John;Xu,He[JournalofMedicinalChemistry,2013,vol.56,#18,p.7201-7211]

[1]Patent:WO2010/151318,2010,A1

Literature

Title: Blackburn C, et al. Potent histone deacetylase inhibitors derived from 4-(aminomethyl)-N-hydroxybenzamide with high selectivity for the HDAC6 isoform. J Med Chem. 2013 Sep 26;56(18):7201-11.

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SDS
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