Inosine,6-S-(phenylmethyl)-6-thio- (9CI)

Modify Date: 2025-09-24 14:36:08

Inosine,6-S-(phenylmethyl)-6-thio- (9CI) Structure
Inosine,6-S-(phenylmethyl)-6-thio- (9CI) structure
Common Name Inosine,6-S-(phenylmethyl)-6-thio- (9CI)
CAS Number 6165-03-3 Molecular Weight 374.41400
Density 1.62g/cm3 Boiling Point 689.8ºC at 760 mmHg
Molecular Formula C17H18N4O4S Melting Point N/A
MSDS N/A Flash Point 371ºC

 Names

Name 2-(6-benzylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.62g/cm3
Boiling Point 689.8ºC at 760 mmHg
Molecular Formula C17H18N4O4S
Molecular Weight 374.41400
Flash Point 371ºC
Exact Mass 374.10500
PSA 138.82000
LogP 0.73010
Index of Refraction 1.77
InChIKey OMJRXFOHHLLDFR-UHFFFAOYSA-N
SMILES OCC1OC(n2cnc3c(SCc4ccccc4)ncnc32)C(O)C1O

 Synthetic Route

~94%

Inosine,6-S-(phenylmethyl)-6-thio- (9CI) Structure

Inosine,6-S-(ph...

CAS#:6165-03-3

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Literature: Lin, Xiaoyu; Robins, Morris J. Organic Letters, 2000 , vol. 2, # 22 p. 3497 - 3499

~41%

Inosine,6-S-(phenylmethyl)-6-thio- (9CI) Structure

Inosine,6-S-(ph...

CAS#:6165-03-3

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Literature: Fleming, Steven A.; Rawlins, David B.; Samano, Vicente; Robins, Morris J. Journal of Organic Chemistry, 1992 , vol. 57, # 22 p. 5968 - 5976

~%

Inosine,6-S-(phenylmethyl)-6-thio- (9CI) Structure

Inosine,6-S-(ph...

CAS#:6165-03-3

Learn More
Literature: Niu, Hong-Ying; Xia, Chao; Qu, Gui-Rong; Wu, Shan; Jiang, Yi; Jin, Xin; Guo, Hai-Ming Chemistry - An Asian Journal, 2012 , vol. 7, # 1 p. 45 - 49

~%

Inosine,6-S-(phenylmethyl)-6-thio- (9CI) Structure

Inosine,6-S-(ph...

CAS#:6165-03-3

Learn More
Literature: Lin, Xiaoyu; Robins, Morris J. Organic Letters, 2000 , vol. 2, # 22 p. 3497 - 3499

~%

Inosine,6-S-(phenylmethyl)-6-thio- (9CI) Structure

Inosine,6-S-(ph...

CAS#:6165-03-3

Learn More
Literature: Lin, Xiaoyu; Robins, Morris J. Organic Letters, 2000 , vol. 2, # 22 p. 3497 - 3499

~%

Inosine,6-S-(phenylmethyl)-6-thio- (9CI) Structure

Inosine,6-S-(ph...

CAS#:6165-03-3

Learn More
Literature: Johnson et al. Journal of the American Chemical Society, 1958 , vol. 80, p. 699,702

~%

Inosine,6-S-(phenylmethyl)-6-thio- (9CI) Structure

Inosine,6-S-(ph...

CAS#:6165-03-3

Learn More
Literature: Niu, Hong-Ying; Xia, Chao; Qu, Gui-Rong; Wu, Shan; Jiang, Yi; Jin, Xin; Guo, Hai-Ming Chemistry - An Asian Journal, 2012 , vol. 7, # 1 p. 45 - 49

~%

Inosine,6-S-(phenylmethyl)-6-thio- (9CI) Structure

Inosine,6-S-(ph...

CAS#:6165-03-3

Learn More
Literature: Alvarez, Zadkiel; Lee, Kyungae; Abel-Santos, Ernesto Antimicrobial Agents and Chemotherapy, 2010 , vol. 54, # 12 p. 5329 - 5336

 Inosine,6-S-(phenylmethyl)-6-thio- (9CI)Bioassay

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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
Source: NCGC
Target: apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id: AMA1100
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id: ABHD4_INH_FP_1536_1X%INH PRUN
Name: High Throughput Screen to Identify Inhibitors Targeting HIV-1 Vif-dependent Degradati...
Source: Southern Research Institute
Target: HIV-1 Vif
External Id: HIV1-VIF_MS
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 Synonyms

S-[4-nitrobenzyl]-6-thioinosine
6-Benzylthionebularine
6-(benzylsulfanyl)-9-pentofuranosyl-9h-purine
(1R)-1-(6-benzylmercapto-purin-9-yl)-D-1,4-anhydro-ribitol
6-Benzylthioinosine
6-Benzylthiopurine ribonucleoside
6-Benzylmercaptopurine riboside
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