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ML303

CAT: 0804-HY-126136-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-126136-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML303 is a pyrazolopyridine influenza virus nonstructural protein 1 (NS1) antagonist (IC90 = 155 nM), with an EC50 of 0.7 μM for Influenza A virus H1N1[1].
CAS Number
1638211-04-7
UNSPSC
12352005
Hazard Statement
H301
Target
Influenza Virus
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/ml303.html
Purity
99.62
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
OC1=CC=C(C2=CC=NC3=C2C(C)=NN3C4=CC=C(C(F)(F)F)C=C4)C=C1OC
Molecular Formula
C21H16F3N3O2
Molecular Weight
399.37
Precautions
P264-P270-P330-P405-P501
References & Citations
[1]Patnaik S, et al. Identification, design and synthesis of novel pyrazolopyridine influenza virus nonstructural protein 1 antagonists. Bioorg Med Chem Lett. 2019 May 1;29 (9) :1113-1119.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

ML303
CAS Number1638211-04-7
PubChem CID136141525
IUPAC Name2-methoxy-4-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-4-yl]phenol
Molecular FormulaC21H16F3N3O2
Molecular Weight399.4
XLogP5
Topological Polar Surface Area60.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity556
SMILES
CC1=NN(C2=NC=CC(=C12)C3=CC(=C(C=C3)O)OC)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C21H16F3N3O2/c1-12-19-16(13-3-8-17(28)18(11-13)29-2)9-10-25-20(19)27(26-12)15-6-4-14(5-7-15)21(22,23)24/h3-11,28H,1-2H3
InChIKey
YBRHGNCGFMRGSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML303
CAS: 1638211-04-7
CID: 136141525
Formula: C21H16F3N3O2
MW: 399.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.4
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass399.11946125
Monoisotopic Mass399.11946125
Topological Polar Surface Area60.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity556
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19176637-01ML303
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A13702-1ML303 1mg
A13702-100ML303 100mg
A13702-50ML303 50mg

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