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HeE1-2Tyr

CAT: 0013-GTR19164685-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164685-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HeE1-2Tyr is a pyridobenzothiazole-based small molecule inhibitor targeting flavivirus RNA-dependent RNA polymerase (RdRp) . It demonstrates in vitro inhibitory activity against West Nile, Dengue, and SARS-CoV-2 RdRps with an IC50 of 27.6 μM. This compound is a useful research tool for antiviral studies targeting viral replication mechanisms.
CAS Number
2245195-67-7
Product Name Alternative
SARSCoV, SARS-CoV, SARS coronavirus, SARS-CoV-2, West, RdRp, inhibit, Nile, flavivirus, Inhibitor, HeE1 2Tyr, HeE12Tyr, HeE-1-2Tyr, HeE1-2Tyr, Dengue
Field of Research
Infectious Disease & Virology
Purity
95.86% (May vary between batches)
Solubility
DMSO:100 mg/mL (171.62 mM)
Smiles
OC (=O) [C@H] (Cc1ccc (O) cc1) NC (=O) c1cc (-c2ccccc2) c (=O) n2c3cc (OC4CCCCC4) ccc3sc12
Molecular Formula
C33H30N2O6S
Molecular Weight
582.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

HeE1-2Tyr
CAS Number2245195-67-7
PubChem CID122172828
IUPAC Name(2S)-2-[(8-cyclohexyloxy-1-oxo-2-phenylpyrido[2,1-b][1,3]benzothiazole-4-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular FormulaC33H30N2O6S
Molecular Weight582.7
XLogP5.9
Topological Polar Surface Area141
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity1090
SMILES
C1CCC(CC1)OC2=CC3=C(C=C2)SC4=C(C=C(C(=O)N34)C5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)O
InChI
InChI=1S/C33H30N2O6S/c36-22-13-11-20(12-14-22)17-27(33(39)40)34-30(37)26-19-25(21-7-3-1-4-8-21)31(38)35-28-18-24(15-16-29(28)42-32(26)35)41-23-9-5-2-6-10-23/h1,3-4,7-8,11-16,18-19,23,27,36H,2,5-6,9-10,17H2,(H,34,37)(H,39,40)/t27-/m0/s1
InChIKey
PTUWWNGMUPSKDC-MHZLTWQESA-N
Chemical Structure
2D Structure
2D structure of HeE1-2Tyr
CAS: 2245195-67-7
CID: 122172828
Formula: C33H30N2O6S
MW: 582.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight582.7
XLogP35.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass582.18245785
Monoisotopic Mass582.18245785
Topological Polar Surface Area141 Ų
Heavy Atom Count42
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP03132-01HeE1-2Tyr
HY-100749RHeE1-2Tyr (Standard)

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