Nitrobenzylthioinosine

Suppliers

Names

[ Name ]:
Nitrobenzylthioinosine

[Synonym ]:
{6-[(4-Nitrobenzyl)thio]-9-β-D-ribofuranosylpurine}
NBMPR
6-[(4-Nitrobenzyl)sulfanyl]-9-(β-D-ribofuranosyl)-9H-purine
S-(4-Nitrobenzyl)-6-thioinosine
EINECS 253-753-4
MFCD00005745
6-S-[(4-Nitrophenyl)methyl]-6-thioinosine
NBTI
6-[(4-Nitrobenzyl)thio]-9-β-D-ribofuranosylpurine
9H-Purine, 6-[[(4-nitrophenyl)methyl]thio]-9-β-D-ribofuranosyl-

Chemical & Physical Properties

[ Density]:
1.8±0.1 g/cm3

[ Boiling Point ]:
770.2±70.0 °C at 760 mmHg

[ Melting Point ]:
187-190 °C(lit.)

[ Molecular Formula ]:
C₁₇H₁₇N₅O₆S

[ Molecular Weight ]:
419.412

[ Flash Point ]:
419.6±35.7 °C

[ Exact Mass ]:
419.089966

[ PSA ]:
184.64000

[ LogP ]:
1.20

[ Appearance of Characters ]:
solid | white

[ Vapour Pressure ]:
0.0±2.8 mmHg at 25°C

[ Index of Refraction ]:
1.808

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
0.1 M HCl: slightly soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UO9025000

CHEMICAL NAME :: 9H-Purine, 6-(((4-nitrophenyl)methyl)thio)-9-beta-D-ribofuranosy l-

CAS REGISTRY NUMBER :: 38048-32-7

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C17-H17-N5-O6-S

MOLECULAR WEIGHT :: 419.45

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: Mutation test systems - not otherwise specified

TEST SYSTEM :: Rodent - rat Liver

DOSE/DURATION :: 8 umol/L

REFERENCE :: CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 43,1616,1983

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
UO9025000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

4-Nitrobenzyl mercaptan
6-Chloropurine riboside
6-chloropurine
D-Ribofuranose, 1-acetate 2,3,5-tribenzoate
[3,4-dibenzoyloxy-5-(6-chloropurin-9-yl)oxolan-2-yl]methyl benzoate
9H-Purine,6-chloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)-
4-Nitrobenzyl chloride

DownStream

4-Nitrotoluene
6-mercaptopurine riboside
2-(hydroxymethyl)-5-(6-propylsulfanylpurin-9-yl)oxolane-3,4-diol
4-Nitrophenethyl alcohol
(2R,3R,4S,5R)-2-(6-((4-(hydroxyamino)benzyl)thio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
6-[[4-[N-(propylsulfonyl)amino]benzyl]thio]-9-(β-D-ribofuranosyl)purine

Articles

Chemical genetics reveals a complex functional ground state of neural stem cells.

Nat. Chem. Biol. 3(5) , 268-273, (2007)

The identification of self-renewing and multipotent neural stem cells (NSCs) in the mammalian brain holds promise for the treatment of neurological diseases and has yielded new insight into brain canc...

Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.

Nat. Chem. Biol. 5 , 765-71, (2009)

Studies of gene function and molecular mechanisms in Plasmodium falciparum are hampered by difficulties in characterizing and measuring phenotypic differences between individual parasites. We screened...

Endothelial dysfunction impairs vascular neurotransmission in tail arteries.

Neurochem. Int. 80 , 7-13, (2015)

The present study intends to clarify if endothelium dysfunction impairs vascular sympathetic neurotransmission. Electrically-evoked tritium overflow (100 pulses/5 Hz) was evaluated in arteries (intact...

nitrobenzylthioinosine 5'-monophosphate
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2-(4-bromo-1-methyl-1H-pyrrol-2-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetic acid
2-(5-{[2-(Tert-butoxy)-2-oxoethoxy]methyl}-3-iodo-2-methylphenyl)acetic acid
N-methyl-1-[3-(pentafluoroethyl)phenyl]cyclopropan-1-amine
4-[2-(Morpholin-4-yl)ethyl]pyrrolidin-2-one
2-{[(Tert-butoxy)carbonyl][(2-hydroxy-5-methylphenyl)methyl]amino}benzoic acid
Methyl 3-amino-5-formyl-2,4,6-trimethylbenzoate
3-Azido-4-methyl-5-[(piperazin-1-yl)methyl]phenyl sulfurofluoridate
3-(Azidomethyl)-2-methyl-5-(piperazin-1-yl)phenyl sulfurofluoridate
2-{N-[2-(2-{[(tert-butoxy)carbonyl]amino}ethoxy)ethyl]-2-nitrobenzenesulfonamido}-2-methylpropanoic acid

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