Compound Summary
Compound Information
38048-32-7
Compound Name: | 38048-32-7 |
Compound CID: | 65407 |
Synonyms: | 38048-32-7 NBMPR S-(4-Nitrobenzyl)-6-thioinosine 4-Nitrobenzylthioinosine NBTI More... |
Iupac Name: | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol |
InChI: | InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1 |
InChIKey: | DYCJFJRCWPVDHY-LSCFUAHRSA-N |
Canonical Smiles: | C1=CC(=CC=C1CSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-] |
Isomeric Smiles: | C1=CC(=CC=C1CSC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)[N+](=O)[O-] |
Molecular Weight: | 419.4 |
Molecular Formula: | C17H17N5O6S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
38048-32-7
Molecular Weight: | 419.4 |
Molecular Formula: | C17H17N5O6S |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 10 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 29 |
Complexity: | 577 |
Synonyms
38048-32-7
| 38048-32-7 | 38048-32-7 |
|---|---|
38048-32-7 |
NBMPR |
S-(4-Nitrobenzyl)-6-thioinosine |
4-Nitrobenzylthioinosine |
NBTI |
(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-((4-nitrobenzyl)thio)-9H-purin-9-yl)tetrahydrofuran-3,4-diol |
UNII-GV1L2DZM2Z |
GV1L2DZM2Z |
6-((4-Nitrobenzyl)thio)-9-beta-D-ribofuranosylpurine |
6-(4-Nitrobenzyl)thio-9-beta-D-ribofuranosylpurine |
CHEMBL418509 |
6-(p-Nitrobenzylthio)inosine |
MFCD00005745 |
9H-Purine, 6-(((4-nitrophenyl)methyl)thio)-9-beta-D-ribofuranosyl- |
6-{(4-nitrophenyl)methylsulfanyl}-9-beta-D-ribofuranosyl-9H-purine |
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{(4-nitrophenyl)methylsulfanyl}-9H-purin-9-yl)oxolane-3,4-diol |
EINECS 253-753-4 |
NSC 296962 |
BRN 1191080 |
6-(4-nitrobenzyl)sulfanyl-9-(beta-D-ribofuranosyl)-9H-purine |
9H-Purine, 6-(4-nitrophenyl)methylthio-9-beta-D-ribofuranosyl- |
NBM |
S6-nitrobenzyl mercaptopurine riboside |
4-nitrobenzylmercaptopurine ribonucleoside |
6-(((4-Nitrophenyl)methyl)thio)-9-beta-D-ribofuranosyl-9H-purine |
MLS002153144 |
SCHEMBL1321676 |
DTXSID2040947 |
BDBM23617 |
CHEBI:138859 |
HMS2234I17 |
ZINC2097863 |
S-4-nitrophenylmethyl-6-thioinosine |
AKOS015912710 |
CS-W011652 |
VC31120 |
NCGC00162270-01 |
NCGC00162270-02 |
NCGC00162270-05 |
AS-74652 |
S6-(4-nitrobenzyl)mercaptopurine riboside |
SMR001230641 |
S-(4-Nitrobenzyl)-6-thioinosine (NBMPR) |
6-S-(4-Nitrophenyl)methyl-6-thioinosine |
C20439 |
Inosine,6-S-(4-nitrophenyl)methyl-6-thio- |
A823993 |
S-(4-Nitrobenzyl)-6-thioinosine, >=98%, solid |
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-nitrobenzylthio)-9H-purin-9-yl)tetrahydrofuran-3,4-diol |
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-6-(4-nitrophenyl)methylsulfanylpurin-9-yltetrahydrofuran-3,4-diol |
Experimental Data
38048-32-7
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 0 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
38048-32-7
Statistics Data
38048-32-7
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0 | 1 | 1 |
Statistics Data Visualization
38048-32-7
