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Presatovir

CAT: 0804-HY-16727Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16727Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Presatovir (GS-5806) is an orally bioavailable RSV fusion inhibitor with a mean EC50 value of 0.43 nM[1].
CAS Number
1353625-73-6
Product Name Alternative
GS-5806
UNSPSC
12352005
Hazard Statement
H315, H319, H320
Target
RSV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/Presatovir.html
Purity
99.91
Solubility
DMSO : 6 mg/mL (ultrasonic; warming) |H2O : < 0.1 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C(C=C(Cl)C=C1)=C1NS(C)(=O)=O)N(CCCC2)[C@@H]2C3=NN4C(N=C(N5CC[C@H](N)C5)C(C)=C4)=C3
Molecular Formula
C24H30ClN7O3S
Molecular Weight
532.06
Precautions
H315, H319, H320
References & Citations
[1]Mackman RL, et al. Discovery of an oral respiratory syncytial virus (RSV) fusion inhibitor (GS-5806) and clinical proof of concept in a human RSV challenge study. J Med Chem. 2015 Feb 26;58 (4) :1630-1643.|[2]Samuel D, et al. GS-5806 inhibits pre- to postfusion conformational changes of the respiratory syncytial virus fusion protein. Antimicrob Agents Chemother. 2015 Nov;59 (11) :7109-12.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Presatovir

Presatovir has been used in trials studying the treatment of RSV Infection, Respiratory Syncytial Virus (RSV), Respiratory Syncytial Virus Infections, and Respiratory Syncytial Virus (RSV) Infections.

CAS Number1353625-73-6
PubChem CID58029842
IUPAC NameN-[2-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
Molecular FormulaC24H30ClN7O3S
Molecular Weight532.1
XLogP2.4
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity905
SMILES
CC1=CN2C(=CC(=N2)[C@@H]3CCCCN3C(=O)C4=C(C=CC(=C4)Cl)NS(=O)(=O)C)N=C1N5CC[C@@H](C5)N
InChI
InChI=1S/C24H30ClN7O3S/c1-15-13-32-22(27-23(15)30-10-8-17(26)14-30)12-20(28-32)21-5-3-4-9-31(21)24(33)18-11-16(25)6-7-19(18)29-36(2,34)35/h6-7,11-13,17,21,29H,3-5,8-10,14,26H2,1-2H3/t17-,21-/m0/s1
InChIKey
GOFXWTVKPWJNGD-UWJYYQICSA-N
Chemical Structure
2D Structure
2D structure of Presatovir
CAS: 1353625-73-6
CID: 58029842
Formula: C24H30ClN7O3S
MW: 532.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.1
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass531.1819367
Monoisotopic Mass531.1819367
Topological Polar Surface Area134 Ų
Heavy Atom Count36
Formal Charge0
Complexity905
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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