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Inarigivir ammonium

CAT: 0013-GTR19164760-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164760-01Size:1 mg
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Description
Inarigivir ammonium (SB-9200) is a dinucleotide RIG-I agonist that activates innate immunity to combat hepatitis B virus. It has demonstrated antiviral efficacy in reducing HBV DNA in transgenic mouse models and has been investigated in vitro for its immunostimulatory mechanisms against viral infections.
CAS Number
2172788-92-8
Product Name Alternative
ORI 9020, ORI9020, ORI-9020, ORI-9020 ammonium, SB 9000, SB9000, SB-9000, SB-9200 ammonium, RIG-I, antiviral, Hepatitis B virus, HCV, HBV, Inhibitor, Huh7, inhibit, Inarigivir, Inarigivir ammonium
Field of Research
Infectious Disease & Virology
Purity
99.13% (May vary between batches)
Solubility
DMSO:98 mg/mL (162.11 mM)
Smiles
NC1=C (N=CN2[C@@H]3O[C@H] (COP (O[C@H]4[C@@H] (OC) [C@H] (N5C=CC (NC5=O) =O) O[C@@H]4CO) (S) =O) [C@@H] (O) C3) C2=NC=N1.N
Molecular Formula
C20H29N8O10PS
Molecular Weight
604.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Inarigivir ammonium
CAS Number2172788-92-8
PubChem CID162623408
IUPAC Name1-[(2R,3R,4R,5R)-4-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;azane
Molecular FormulaC20H29N8O10PS
Molecular Weight604.5
Topological Polar Surface Area259
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity1010
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=S)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C(N=CN=C54)N)O.N
InChI
InChI=1S/C20H26N7O10PS.H3N/c1-33-16-15(10(5-28)36-19(16)26-3-2-12(30)25-20(26)31)37-38(32,39)34-6-11-9(29)4-13(35-11)27-8-24-14-17(21)22-7-23-18(14)27;/h2-3,7-11,13,15-16,19,28-29H,4-6H2,1H3,(H,32,39)(H2,21,22,23)(H,25,30,31);1H3/t9-,10+,11+,13+,15+,16+,19+,38?;/m0./s1
InChIKey
CAUBLFJDYDLFRY-NJCNYLKWSA-N
Chemical Structure
2D Structure
2D structure of Inarigivir ammonium
CAS: 2172788-92-8
CID: 162623408
Formula: C20H29N8O10PS
MW: 604.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight604.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count9
Exact Mass604.14649732
Monoisotopic Mass604.14649732
Topological Polar Surface Area259 Ų
Heavy Atom Count40
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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