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CHIKV-IN-2

CAT: 0013-GTR19164840-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164840-02Size:5 mg
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Description
CHIKV-IN-2 is a potent small molecule inhibitor of Dihydroorotate Dehydrogenase (DHODH), effectively blocking pyrimidine synthesis and viral replication. It demonstrates strong in vitro antiviral activity against Chikungunya virus (EC90=270 nM) and exhibits favorable metabolic stability, making it a valuable tool for antiviral research.
CAS Number
2361289-44-1
Product Name Alternative
Chikungunya, CHIKV, CHIKV IN 2, CHIKVIN2, CHIKV-IN-2, DHODH, Dihydroorotate Dehydrogenase, Inhibitor, inhibit, virus
Field of Research
Infectious Disease & Virology, Metabolism Research
Purity
98.57% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (9.1 mM) ; DMSO:99 mg/mL (273.13 mM)
Smiles
COc1cc2CCCCCc2cc1C (=O) Nc1ccc (cc1) C (C) (C) C#N
Molecular Formula
C23H26N2O2
Molecular Weight
362.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Chikv-IN-2
CAS Number2361289-44-1
PubChem CID142616713
IUPAC NameN-[4-(2-cyanopropan-2-yl)phenyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
Molecular FormulaC23H26N2O2
Molecular Weight362.5
XLogP5.2
Topological Polar Surface Area62.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity556
SMILES
CC(C)(C#N)C1=CC=C(C=C1)NC(=O)C2=C(C=C3CCCCCC3=C2)OC
InChI
InChI=1S/C23H26N2O2/c1-23(2,15-24)18-9-11-19(12-10-18)25-22(26)20-13-16-7-5-4-6-8-17(16)14-21(20)27-3/h9-14H,4-8H2,1-3H3,(H,25,26)
InChIKey
WAOHPFHXTKBTTG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chikv-IN-2
CAS: 2361289-44-1
CID: 142616713
Formula: C23H26N2O2
MW: 362.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.5
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass362.199428076
Monoisotopic Mass362.199428076
Topological Polar Surface Area62.1 Ų
Heavy Atom Count27
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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MBS3617179-01CHIKV-IN-2
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