Home Amines 1134156-31-2
1134156-31-2,MFCD18086892
Catalog No.:AA0008ET
1134156-31-2 | 5'-O-[(4-Cyanophenyl)methyl]-8-[[(3,4-dichlorophenyl)methyl]amino]-adenosine
Pack Size
Purity
Availability
Price(USD)
Quantity
  
10mg
98%
in stock  
$58.00   $40.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0008ET
Chemical Name:
5'-O-[(4-Cyanophenyl)methyl]-8-[[(3,4-dichlorophenyl)methyl]amino]-adenosine
CAS Number:
1134156-31-2
Molecular Formula:
C25H23Cl2N7O4
Molecular Weight:
556.4006
MDL Number:
MFCD18086892
IUPAC Name:
4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl]benzonitrile
InChI:
InChI=1S/C25H23Cl2N7O4/c26-16-6-5-15(7-17(16)27)9-30-25-33-19-22(29)31-12-32-23(19)34(25)24-21(36)20(35)18(38-24)11-37-10-14-3-1-13(8-28)2-4-14/h1-7,12,18,20-21,24,35-36H,9-11H2,(H,30,33)(H2,29,31,32)/t18-,20-,21-,24-/m1/s1
InChI Key:
ZXGGCBQORXDVTE-UMCMBGNQSA-N
SMILES:
N#Cc1ccc(cc1)COC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(NCc2ccc(c(c2)Cl)Cl)nc2c1ncnc2N
Properties
Computed Properties
 
Complexity:
831  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
555.119g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
556.404g/mol
Monoisotopic Mass:
555.119g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
VER 155008 
VER-155008 
4-((((2R,3S,4R,5R)-5-(6-amino-8-(3,4-dichlorobenzylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)methyl)benzonitrile 
4-[[(2r,3s,4r,5r)-5-[6-Amino-8-[(3,4-Dichlorophenyl)methylamino]purin-9-Yl]-3,4-Dihydroxy-Oxolan-2-Yl]methoxymethyl]benzonitrile 
3FD 
AK101867 
4io8 
MLS006010638 
C25H23Cl2N7O4 
CHEMBL470334 
adenosine-derived inhibitor, 12 
SCHEMBL16046542 
VER155008 
BDBM32378 
CHEBI:95010 
CTK8B9488 
DTXSID00649014 
BCP11966 
EX-A2275 
2290AA 
ANW-62597 
MFCD18086892 
s7751 
1134156-31-2 
ZINC43208321 
AKOS016003983 
CS-3823 
QC-9937 
NCGC00263143-04 
BC600787 
HY-10941 
SMR004701641 
adenosine-derived inhibitor (Grp78), 13 
AX8233406 
VER-155008 
TC-151342 
ST24044025 
A13351 
VER-155008, >=98% (HPLC) 
J-002962 
BRD-K32330832-001-01-0 
8-(3,4-Dichlorobenzyl)amino-5-O-(4-cyano-benzyl)adenosine 
5'-O-(4-cyanobenzyl)-8-[(3,4-dichlorobenzyl)amino]adenosine 
5'-O-[(4-Cyanophenyl)methyl]-8-{[(3,4-dichlorophenyl)methyl]amino}adenosine 
Adenosine, 5'-O-[(4-cyanophenyl)methyl]-8-[[(3,4-dichlorophenyl)methyl]amino]- 
VER155008 
4-({[(2R,3S,4R,5R)-5-(6-amino-8-{[(3,4-dichlorophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}methyl)benzonitrile 
D0H0AU 
ZXGGCBQORXDVTE-UMCMBGNQSA-N 
Hsp 70 inhibitor (cancer), Vernalis 
A4387 
C550733 
Heat shock protein 70 inhibitor (cancer), Vernalis 
C07 
VER 155008 
5'-O-[(4-Cyanophenyl)methyl]-8-[[(3,4-dichlorophenyl)methyl]amino]-adenosine 
5'-O-[(4-Cyanophenyl)methyl]-8-[[(3,4-dichlorophenyl)-methyl]amino]-adenosine 
4-((((2R,3S,4R,5R)-5-(6-Amino-8-((3,4-dichlorobenzyl)amino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)methyl)benzonitrile 
Literature

Title: Osteoblasts activate the Nrf2 signalling pathway in response to arsenic trioxide treatment.

Journal: The international journal of biochemistry & cell biology 20161001

Title: The nuclear factor erythroid 2-like 2 activator, tert-butylhydroquinone, improves cognitive performance in mice after mild traumatic brain injury.

Journal: Neuroscience 20121025

Title: Adenosine-derived inhibitors of 78 kDa glucose regulated protein (Grp78) ATPase: insights into isoform selectivity.

Journal: Journal of medicinal chemistry 20110623

Title: ATPases as drug targets: insights from heat shock proteins 70 and 90.

Journal: Journal of medicinal chemistry 20101028

Title: A novel, small molecule inhibitor of Hsc70/Hsp70 potentiates Hsp90 inhibitor induced apoptosis in HCT116 colon carcinoma cells.

Journal: Cancer chemotherapy and pharmacology 20100801

Title: Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design.

Journal: Journal of medicinal chemistry 20090326

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A