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Home Amines 4016-63-1
4016-63-1,MFCD00150531
Catalog No.:AA00I7SW

4016-63-1 | (2R,3R,4S,5R)-2-(2-amino-8-bromo-6-hydroxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$8.00   $6.00
- +
5g
97%
in stock  
$28.00   $20.00
- +
25g
95%
in stock  
$95.00   $67.00
- +
500g
95%
in stock  
$1,254.00   $878.00
- +
  • 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:
AA00I7SW
Chemical Name:
(2R,3R,4S,5R)-2-(2-amino-8-bromo-6-hydroxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CAS Number:
4016-63-1
Molecular Formula:
C10H12BrN5O5
Molecular Weight:
362.1368
MDL Number:
MFCD00150531
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(Br)nc2c1nc(N)[nH]c2=O
Properties
Properties
 
BP:
611.1°C at 760 mmHg  
Form:
Solid  
MP:
222°C  
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
479  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
5  
Rotatable Bond Count:
2  
XLogP3:
-0.9  

Upstream Synthesis Route

[1]PhotochemistryandPhotobiology,2018,vol.94,#4,p.677-684

[2]Nucleosides,NucleotidesandNucleicAcids,2012,vol.31,#10,p.707-719

[3]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2001,vol.40,#5,p.382-385

[4]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2002,vol.41,#2,p.379-383

[5]TetrahedronLetters,2016,vol.57,#27-28,p.2949-2953

[6]Chemistry-AEuropeanJournal,2018,vol.24,#16,p.4002-4005

[7]JournaloftheAmericanChemicalSociety,1995,vol.117,#24,p.6439-6442

[8]ChemicalCommunications,2008,#2,p.178-180

[9]TetrahedronLetters,2012,vol.53,#26,p.3333-3336

[10]IndianJournalofChemistry-SectionAInorganic,Physical,TheoreticalandAnalyticalChemistry,2013,vol.52,#8-9,p.1004-1013

[11]Molecules,2013,vol.18,#10,p.12740-12750

[12]StructuralChemistry,2010,vol.21,#1,p.245-254

[13]TetrahedronLetters,2011,vol.52,#17,p.2176-2180

[14]Patent:US2013/52710,2013,A1,.Locationinpatent:Page/Pagecolumn

[15]Organometallics,2018,vol.37,#22,p.4181-4185

[1]JournaloftheBrazilianChemicalSociety,2010,vol.21,#5,p.859-866

Downstream Synthesis Route
108-24-7    4016-63-1   
2',3',5'-tri-O-acetyl-8-methoxyguanosine 

[1]Organicletters,2001,vol.3,p.2801-2804

873-73-4    4016-63-1   
2-Amino-8-(4-chloro-phenylethynyl)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purin-6-one 

[1]TetrahedronLetters,2006,vol.47,p.3529-3533

705-31-7    4016-63-1   
8-(4-trifluoromethylphenylethynyl)guanosine 

[1]TetrahedronLetters,2006,vol.47,p.3529-3533

41876-70-4    4016-63-1   
8-(4-N,N-diethylaminophenylethynyl)guanosine 

[1]TetrahedronLetters,2006,vol.47,p.3529-3533

42472-69-5    4016-63-1   
8-(4-acetylphenylethynyl)guanosine 

[1]TetrahedronLetters,2006,vol.47,p.3529-3533

Literature

Title: Structure-based design of DevR inhibitor active against nonreplicating Mycobacterium tuberculosis.

Journal: Journal of medicinal chemistry 20091022

Title: Time-resolved resonance Raman investigation of the 2-fluorenylnitrenium ion reactions with C8 guanosine derivatives.

Journal: The journal of physical chemistry. B 20071108

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SDS
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Tags:4016-63-1 Molecular Formula|4016-63-1 MDL|4016-63-1 SMILES|4016-63-1 (2R,3R,4S,5R)-2-(2-amino-8-bromo-6-hydroxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol