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DRP1 Allosteric-IN-1

CAT: 0804-HY-176973Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-176973Size:1 Each
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Description
DRP1 Allosteric-IN-1 (Compound 1) is an allosteric inhibitor of DRP1 with an IC50 value for the DRP1:MiD49 protein-protein interaction of 3.6 μM. DRP1 Allosteric-IN-1 can be used to study various diseases related to mitochondrial division disorders[1].
CAS Number
1359386-11-0
UNSPSC
12352005
Target
Dynamin
Related Pathways
Cytoskeleton
Field of Research
Cancer; Metabolic Disease; Neurological Disease; Cardiovascular Disease
Smiles
O=C(C(C)C)NC1=CC2=C(N=C(C3=CC=CC=C3)C=C2OCC)C=C1
Molecular Formula
C21H22N2O2
Molecular Weight
334.41
References & Citations
[1]Furuya T, et al. Discovery of Potent Allosteric DRP1 Inhibitors by Disrupting Protein-Protein Interaction with MiD49. ACS Med Chem Lett. 2023 Jul 24;14 (8) :1095-1099.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(4-ethoxy-2-phenylquinolin-6-yl)-2-methylpropanamide
CAS Number1359386-11-0
PubChem CID53113412
IUPAC NameN-(4-ethoxy-2-phenylquinolin-6-yl)-2-methylpropanamide
Molecular FormulaC21H22N2O2
Molecular Weight334.4
XLogP4.4
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity434
SMILES
CCOC1=CC(=NC2=C1C=C(C=C2)NC(=O)C(C)C)C3=CC=CC=C3
InChI
InChI=1S/C21H22N2O2/c1-4-25-20-13-19(15-8-6-5-7-9-15)23-18-11-10-16(12-17(18)20)22-21(24)14(2)3/h5-14H,4H2,1-3H3,(H,22,24)
InChIKey
KBULIPXORLTUBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-ethoxy-2-phenylquinolin-6-yl)-2-methylpropanamide
CAS: 1359386-11-0
CID: 53113412
Formula: C21H22N2O2
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass334.168127949
Monoisotopic Mass334.168127949
Topological Polar Surface Area51.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity434
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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