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HRSV-IN-1

CAT: 0804-HY-148308-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148308-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HRSV-IN-1 is an inhibitor of respiratory syncytial virus (hRSV) [1][2].
CAS Number
749868-66-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319
Target
RSV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/hrsv-in-1.html
Solubility
10 mM in DMSO
Smiles
O=C(N1CCN(CC1)C2=NC=CC=N2)C3=CC=CC(S(=O)(N4C5=C(CC4C)C=CC=C5)=O)=C3
Molecular Formula
C24H25N5O3S
Molecular Weight
463.55
Precautions
P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501
References & Citations
[1]Chung DH, et al. A cell based high-throughput screening approach for the discovery of new inhibitors of respiratory syncytial virus. Virol J. 2013 Jan 10;10:19. |[2]Chung DH, et al. HTS-driven discovery of new chemotypes with West Nile Virus inhibitory activity. Molecules. 2010 Mar 12;15 (3) :1690-704.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

hRSV-IN-1
CAS Number749868-66-4
PubChem CID4272400
IUPAC Name[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
Molecular FormulaC24H25N5O3S
Molecular Weight463.6
XLogP2.8
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity788
SMILES
CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5
InChI
InChI=1S/C24H25N5O3S/c1-18-16-19-6-2-3-9-22(19)29(18)33(31,32)21-8-4-7-20(17-21)23(30)27-12-14-28(15-13-27)24-25-10-5-11-26-24/h2-11,17-18H,12-16H2,1H3
InChIKey
MZSUJXLJAWVELU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of hRSV-IN-1
CAS: 749868-66-4
CID: 4272400
Formula: C24H25N5O3S
MW: 463.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.6
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass463.16781085
Monoisotopic Mass463.16781085
Topological Polar Surface Area95.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity788
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR18776972-01HRSV M2-1 Polyclonal Antibody
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VK087014-01Anti-HRSV M2-1 Polyclonal Antibody
GTR19146575-01Recombinant HRSV M2-1 Protein, N-His
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