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2004677-13-6

2004677-13-6 Structure

2004677-13-6 Structure
IdentificationBack Directory
[Name]

1-Hexanol, 2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methyl-, (2R)-
[CAS]

2004677-13-6
[Synonyms]

GS-9688
Selgantolimod
(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
1-Hexanol, 2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methyl-, (2R)-
[Molecular Formula]

C14H20FN5O
[MDL Number]

MFCD32693858
[MOL File]

2004677-13-6.mol
[Molecular Weight]

293.34
Chemical PropertiesBack Directory
[Boiling point ]

535.1±60.0 °C(Predicted)
[density ]

1.299±0.06 g/cm3(Predicted)
[form ]

Solid
[pka]

14.86±0.10(Predicted)
[color ]

Light yellow to yellow
[InChI]

InChI=1S/C14H20FN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m1/s1
[InChIKey]

HTCJUBZBSJQWBW-CQSZACIVSA-N
[SMILES]

C(O)[C@@](NC1N=C(N)N=C2C=C(F)C=NC2=1)(C)CCCC
Hazard InformationBack Directory
[Uses]

Selgantolimod (GS-9688) is an orally active, potent and selective toll-like receptor 8 (TLR8) agonist for the treatment of hepatitis B virus (HBV) and human immunodeficiency virus (HIV) infection[1][2][3].
[in vivo]

Once-weekly dosing of oral Selgantolimod induces dose-dependent increases in serum IL-12 and IL-1 receptor antagonist (IL-1RA) in cynomolgus monkeys, and leads to functional cure in the woodchuck model of chronic HBV[1].

[IC 50]

TLR8; HBV
[References]

[1] Jules Levin. Efficacy and Safety of Oral TLR8 Agonist Selgantolimod in Virally Suppressed Adult Patients With Chronic Hepatitis B: a Phase 2, Randomized, Double-Blind, Placebo-Controlled, Multicenter Study. 2019 Nov 8-12.
[2] Benjamin Ryan. Selgantolimod Shows Promise as Treatment for Hepatitis B. November 18, 2019.
[3] Romas Geleziunas, et al. Modulators of toll-like receptors for the treatment of hiv. US20170071944A1.
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