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5399-92-8,MFCD03030404
Catalog No.:AA0033W8

5399-92-8 | 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$18.00   $13.00
- +
5g
95%
in stock  
$22.00   $16.00
- +
10g
95%
in stock  
$42.00   $29.00
- +
25g
95%
in stock  
$101.00   $71.00
- +
100g
95%
in stock  
$381.00   $267.00
- +
  • 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:
AA0033W8
Chemical Name:
4-Chloro-1H-pyrazolo[3,4-d]pyrimidine
CAS Number:
5399-92-8
Molecular Formula:
C5H3ClN4
Molecular Weight:
154.5571
MDL Number:
MFCD03030404
SMILES:
Clc1ncnc2c1cn[nH]2
NSC Number:
4937
Properties
Properties
 
BP:
348.3°C at 760 mmHg  
Form:
Solid  
MP:
150-155°C  
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
131  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
XLogP3:
1.1  

Upstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1956,vol.78,p.784,787

[2]JournaloftheAmericanChemicalSociety,1957,vol.79,p.6407,6413

[3]Patent:US2007/10523,2007,A1,.Locationinpatent:Page/Pagecolumn9

[1]Patent:WO2017/161349,2017,A1,.Locationinpatent:Paragraph0250

[2]JournaloftheAmericanChemicalSociety,1956,vol.78,p.784,787

[3]JournaloftheAmericanChemicalSociety,1957,vol.79,p.6407,6413

[4]Patent:WO2016/187723,2016,A1,.Locationinpatent:Page/Pagecolumn51

[1]Patent:US2009/5359,2009,A1,.Locationinpatent:Page/Pagecolumn18

[2]Patent:WO2008/153947,2008,A2,.Locationinpatent:Page/Pagecolumn42;63-64

[3]Molecules,2017,vol.22,#4,

[4]Patent:CN106496232,2017,A,.Locationinpatent:Paragraph0049;0050;0051;0052

[5]Patent:CN107383014,2017,A,.Locationinpatent:Paragraph0075;0076;0077;0078

[6]EuropeanJournalofMedicinalChemistry,2018,vol.155,p.210-228

[7]Patent:WO2011/139273,2011,A1,.Locationinpatent:Page/Pagecolumn48;49

[8]Patent:US2012/172379,2012,A1,.Locationinpatent:Page/Pagecolumn23

[9]Patent:US2007/10523,2007,A1,.Locationinpatent:Page/Pagecolumn9

[10]Patent:WO2011/29043,2011,A1,.Locationinpatent:Page/Pagecolumn126

[1]Patent:WO2008/140947,2008,A1,.Locationinpatent:Page/Pagecolumn36-37

[2]Patent:WO2015/187845,2015,A1,.Locationinpatent:Paragraph0185

[3]Patent:WO2007/76423,2007,A2,.Locationinpatent:Page/Pagecolumn181

[4]ChemMedChem,2014,vol.9,#11,p.2516-2527

[5]Patent:US2009/286812,2009,A1,.Locationinpatent:Page/Pagecolumn28

[6]Patent:EP2889298,2015,A1,.Locationinpatent:Paragraph0101

[7]JournaloftheAmericanChemicalSociety,1956,vol.78,p.784,787

[8]JournaloftheAmericanChemicalSociety,1957,vol.79,p.6407,6413

[9]JournalofMedicinalChemistry,2013,vol.56,#4,p.1641-1655

[1]JournalofMedicinalChemistry,2013,vol.56,#13,p.5382-5394

[2]ComptesRendusChimie,2017,vol.20,#9-10,p.927-933

[3]Molecules,2016,vol.21,#6,

[4]Patent:US2007/281949,2007,A1,.Locationinpatent:Page/Pagecolumn36

[5]Patent:WO2005/51304,2005,A2,.Locationinpatent:Page/Pagecolumn115;162-163

[6]Patent:WO2005/51304,2005,A2,.Locationinpatent:Page/Pagecolumn115;162-163

[7]BioorganicandMedicinalChemistryLetters,2004,vol.14,#10,p.2519-2525

[8]Patent:EP1772454,2007,A1,.Locationinpatent:Page/Pagecolumn60

[9]Patent:EP1772454,2007,A1,.Locationinpatent:Page/Pagecolumn60-61

[10]EuropeanJournalofMedicinalChemistry,2013,vol.67,p.152-157

[11]Patent:WO2016/170163,2016,A1,.Locationinpatent:Page/Pagecolumn94

[12]ProceedingsoftheNationalAcademyofSciencesoftheUnitedStatesofAmerica,2017,vol.114,#16,p.E3178-E3187

Downstream Synthesis Route

[1]Patent:WO2008/140947,2008,A1.Locationinpatent:Page/Pagecolumn36-37

[2]Patent:WO2015/187845,2015,A1.Locationinpatent:Paragraph0185

[3]Patent:WO2007/76423,2007,A2.Locationinpatent:Page/Pagecolumn181

[4]ChemMedChem,2014,vol.9,p.2516-2527

[5]Patent:US2009/286812,2009,A1.Locationinpatent:Page/Pagecolumn28

[6]Patent:EP2889298,2015,A1.Locationinpatent:Paragraph0101

[7]JournaloftheAmericanChemicalSociety,1956,vol.78,p.784,787    JournaloftheAmericanChemicalSociety,1957,vol.79,p.6407,6413

[8]JournalofMedicinalChemistry,2013,vol.56,p.1641-1655

[1]JournaloftheAmericanChemicalSociety,1956,vol.78,p.784,787    JournaloftheAmericanChemicalSociety,1957,vol.79,p.6407,6413

[2]Patent:US2007/10523,2007,A1.Locationinpatent:Page/Pagecolumn9

[1]Patent:WO2017/161349,2017,A1.Locationinpatent:Paragraph0250

[2]JournaloftheAmericanChemicalSociety,1956,vol.78,p.784,787    JournaloftheAmericanChemicalSociety,1957,vol.79,p.6407,6413

[3]Patent:WO2016/187723,2016,A1.Locationinpatent:Page/Pagecolumn51

[1]OrganicLetters,2003,vol.5,p.3587-3590

[2]Patent:WO2005/51304,2005,A2.Locationinpatent:Page/Pagecolumn115-116

[3]MedChemComm,2018,vol.9,p.1340-1350

[4]Patent:WO2016/187723,2016,A1.Locationinpatent:Page/Pagecolumn51

[5]Patent:WO2017/46738,2017,A1.Locationinpatent:Page/Pagecolumn57

[1]Patent:WO2008/140947,2008,A1.Locationinpatent:Page/Pagecolumn38

[2]OrganicLetters,2003,vol.5,p.3587-3590

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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