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28797-48-0,MFCD01948712
Catalog No.:AA002WGI

28797-48-0 | 5,11-Dihydro-11-chloroacetyl-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$18.00   $13.00
- +
5g
95%
in stock  
$24.00   $17.00
- +
25g
95%
in stock  
$59.00   $42.00
- +
100g
95%
in stock  
$151.00   $106.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002WGI
Chemical Name:
5,11-Dihydro-11-chloroacetyl-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one
CAS Number:
28797-48-0
Molecular Formula:
C14H10ClN3O2
Molecular Weight:
287.7011
MDL Number:
MFCD01948712
SMILES:
ClCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2
Properties
Properties
 
BP:
481.1°C at 760 mmHg  
Form:
Solid  
MP:
>197°C (dec.)  
Refractive Index:
1.637  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
404  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.8  

Upstream Synthesis Route

[1]JournalofMedicinalChemistry,2004,vol.47,#17,p.4300-4315

[2]CollectionofCzechoslovakChemicalCommunications,1988,vol.53,#8,p.1820-1844

[3]JournalofMedicinalChemistry,1991,vol.34,#7,p.2133-2145

[4]JournalofMedicinalChemistry,1988,vol.31,#6,p.1169-1174

[5]JournalofMedicinalChemistry,1989,vol.32,#8,p.1718-1724

[6]Patent:WO2006/8118,2006,A1,.Locationinpatent:Page/Pagecolumn21

[1]JournalofMedicinalChemistry,2004,vol.47,#17,p.4300-4315

[2]CollectionofCzechoslovakChemicalCommunications,1988,vol.53,#8,p.1820-1844

[1]JournalofMedicinalChemistry,2004,vol.47,#17,p.4300-4315

[1]JournalofMedicinalChemistry,2004,vol.47,#17,p.4300-4315

[1]JournalofMedicinalChemistry,2004,vol.47,#17,p.4300-4315

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1991,vol.34,p.2133-2145

[1]CollectionofCzechoslovakChemicalCommunications,1988,vol.53,p.1820-1844

[1]JournalofMedicinalChemistry,1989,vol.32,p.1718-1724

[1]JournalofMedicinalChemistry,1989,vol.32,p.1718-1724

[2]Patent:US4550107,1985,A

[1]JournalofMedicinalChemistry,2004,vol.47,p.4300-4315

[2]CollectionofCzechoslovakChemicalCommunications,1988,vol.53,p.1820-1844

[3]JournalofMedicinalChemistry,1991,vol.34,p.2133-2145

[4]JournalofMedicinalChemistry,1988,vol.31,p.1169-1174

[5]Patent:WO2006/8118,2006,A1.Locationinpatent:Page/Pagecolumn21

[6]Patent:CN109627241,2019,A.Locationinpatent:Paragraph0028;0034

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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Tags:28797-48-0 Molecular Formula|28797-48-0 MDL|28797-48-0 SMILES|28797-48-0 5,11-Dihydro-11-chloroacetyl-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one