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GS-9191

CAT: 0013-GTR19199182-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199182-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GS-9191 is a prodrug of the nucleoside analog PMEG, which acts as a potent inhibitor of DNA polymerases alpha and beta. Its active triphosphate form exhibits antiproliferative effects, demonstrating dose-dependent reduction of papilloma size in vivo, supporting its research application for HPV-related lesion studies.
CAS Number
859209-84-0
Product Name Alternative
DNASynthesis, DNA Synthesis, DNA polymerase beta, DNA polymerase α, GS9191, GS-9191, GS 9191, RNA Synthesis, RNASynthesis
Field of Research
Cell Biology, Infectious Disease & Virology, Molecular Biology
Purity
97.83% (May vary between batches)
Solubility
DMSO:7.35 mg/mL (10 mM)
Smiles
C (COCP (N[C@@H] (CC1=CC=CC=C1) C (OCC (C) C) =O) (N[C@@H] (CC2=CC=CC=C2) C (OCC (C) C) =O) =O) N3C=4C (=C (NC5CC5) N=C (N) N4) N=C3
Molecular Formula
C37H51N8O6P
Molecular Weight
734.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gs-9191

GS-9191 is under investigation in clinical trial NCT00499967 (Safety and Effectiveness Study of an Experimental Topical Ointment (GS-9191) for the Treatment of Genital Warts).

CAS Number859209-84-0
PubChem CID44181731
IUPAC Name2-methylpropyl (2S)-2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-[[(2S)-1-(2-methylpropoxy)-1-oxo-3-phenylpropan-2-yl]amino]phosphoryl]amino]-3-phenylpropanoate
Molecular FormulaC37H51N8O6P
Molecular Weight734.8
XLogP5.6
Topological Polar Surface Area185
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count23
Heavy Atom Count52
Formal Charge0
Complexity1100
SMILES
CC(C)COC(=O)[C@H](CC1=CC=CC=C1)NP(=O)(COCCN2C=NC3=C(N=C(N=C32)N)NC4CC4)N[C@@H](CC5=CC=CC=C5)C(=O)OCC(C)C
InChI
InChI=1S/C37H51N8O6P/c1-25(2)21-50-35(46)30(19-27-11-7-5-8-12-27)43-52(48,44-31(36(47)51-22-26(3)4)20-28-13-9-6-10-14-28)24-49-18-17-45-23-39-32-33(40-29-15-16-29)41-37(38)42-34(32)45/h5-14,23,25-26,29-31H,15-22,24H2,1-4H3,(H2,43,44,48)(H3,38,40,41,42)/t30-,31-/m0/s1
InChIKey
YTMOQFAFGKLYIW-CONSDPRKSA-N
Chemical Structure
2D Structure
2D structure of Gs-9191
CAS: 859209-84-0
CID: 44181731
Formula: C37H51N8O6P
MW: 734.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight734.8
XLogP35.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count23
Exact Mass734.36691837
Monoisotopic Mass734.36691837
Topological Polar Surface Area185 Ų
Heavy Atom Count52
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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