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Neuroinflammatory-IN-3

CAT: 0804-HY-152088Size: 1 EachDry Ice: NoHazardous: No
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Description
Neuroinflammatory-IN-3, a tubulin inhibitor, is an anti-neuroinflammatory agent. Neuroinflammatory-IN-3 is a potent antitumor agent that functions by the inhibition of tubulin polymerization[1][2].
CAS Number
1202404-23-6
UNSPSC
12352005
Target
Microtubule/Tubulin
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton
Applications
COVID-19-anti-virus
Field of Research
Cancer; Inflammation/Immunology; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/neuroinflammatory-in-3.html
Solubility
10 mM in DMSO
Smiles
OC1=C(OC)C=CC2=C1OC(C)(C)C=C2C3=CC=C(Cl)C=C3C
Molecular Formula
C19H19ClO3
Molecular Weight
330.81
References & Citations
[1]Junhyeong Yim, et al. Phenotype-based screening rediscovered benzopyran-embedded microtubule inhibitors as anti-neuroinflammatory agents by modulating the tubulin-p65 interaction. Exp Mol Med. 2022 Dec 12;1-10|[2]Jongmin Park, et al. Discovery and target identification of an antiproliferative agent in live cells using fluorescence difference in two-dimensional gel electrophoresis. Angew Chem Int Ed Engl. 2012 May 29;51 (22) :5447-51.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Neuroinflammatory-IN-3
CAS Number1202404-23-6
PubChem CID58027281
IUPAC Name4-(4-chloro-2-methylphenyl)-7-methoxy-2,2-dimethylchromen-8-ol
Molecular FormulaC19H19ClO3
Molecular Weight330.8
XLogP4.6
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity462
SMILES
CC1=C(C=CC(=C1)Cl)C2=CC(OC3=C2C=CC(=C3O)OC)(C)C
InChI
InChI=1S/C19H19ClO3/c1-11-9-12(20)5-6-13(11)15-10-19(2,3)23-18-14(15)7-8-16(22-4)17(18)21/h5-10,21H,1-4H3
InChIKey
WNNARDJCOGHFDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Neuroinflammatory-IN-3
CAS: 1202404-23-6
CID: 58027281
Formula: C19H19ClO3
MW: 330.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.8
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass330.1022722
Monoisotopic Mass330.1022722
Topological Polar Surface Area38.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity462
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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