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S-(4-Nitrobenzyl)-6-thioinosine

S-(4-Nitrobenzyl)-6-thioinosine structure

CAS No:
38048-32-7
Formula:
C17H17N5O6S
Chemical Name:
S-(4-Nitrobenzyl)-6-thioinosine
Synonyms:
Inosine,6-S-[(4-nitrophenyl)methyl]-6-thio-;6-S-[(4-Nitrophenyl)methyl]-6-thioinosine;6-[(4-Nitrobenzyl)thio]-9-β-D-ribofuranosylpurine;S-(p-Nitrobenzyl)-6-mercapto-9-β-D-ribofuranosylpurine;S-(4-Nitrobenzyl)-6-thioinosine;NSC 296962;NBMPR;6-[(4-Nitrobenzyl)thio)inosine;2-(Hydroxymethyl)-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol;2-(Hydroxymethyl)-5-[6-[(4-nitrophenyl)methylthio]purin-9-yl]oxolane-3,4-diol;56964-68-2;65177-80-2;1294455-79-0
Categories:
Biochemical Engineering > Saccharides

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S-(4-Nitrobenzyl)-6-thioinosine Basic Attributes

Molecular Weight：

419.41

Exact Mass：

419.41

EC Number：

253-753-4

NSC Number：

296962

Characteristics

PSA：

184.64000

XLogP3：

1.16150

Appearance：

Off-White Solid

Density：

1.49 g/cm³

Melting Point：

197-198 °C

Boiling Point：

770.2±70.0 °C(Predicted)

Flash Point：

419.6ºC

Refractive Index：

1.6460 (estimate)

Storage Conditions：

2-8ºC

PKA：

13.08±0.70

Safety Information

wgk germany：

safety instructions：

24/25

RTECS Number：

UO9025000

Drug Information

MeSH：

Analogs of those substrates or compounds which bind naturally at the active sites of proteins, enzymes, antibodies, steroids, or physiological receptors. These analogs form a stable covalent bond at the binding site, thereby acting as inhibitors of the proteins or steroids. (See all compounds classified as Affinity Labels.)

MeSH Entry Terms：

4-NBMI

S-(4-Nitrobenzyl)-6-thioinosine Use and Manufacturing

It is a prototype inhibitor of the human equilibrative nucleoside transporter (hENT1), and is a high affinity ligand with a Kd of 0.1-1.0 nM. Nucleoside transporter inhibitors have potential therapeutic applications as anticancer, antiviral, cardio

Computed Properties

Molecular Weight:419.4
XLogP3:1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:419.08995445
Monoisotopic Mass:419.08995445
Topological Polar Surface Area:185
Heavy Atom Count:29
Complexity:577
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Sucrose Structure

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Hot Searches: pentanone; t butyl alcohol; methyl formate; hiende; molecular formula for nitrate; teriparatide injection

Guide of S-(4-Nitrobenzyl)-6-thioinosine

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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