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Autophagy-IN-2

CAT: 0804-HY-150757Size: 1 EachDry Ice: NoHazardous: No
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Description
Autophagy-IN-2 (Compound 7h) is an autophagic flux inhibitor. Autophagy-IN-2 induces cancer cell apoptosis and can be used for triple-negative breast cancer research[1].
CAS Number
2755454-90-9
UNSPSC
12352005
Target
Apoptosis; Autophagy
Type
Reference compound
Related Pathways
Apoptosis; Autophagy
Applications
COVID-19-immunoregulation
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/autophagy-in-2.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=C(C2=NC3=CC=CC=C3N2)N=CN1)NC4CCCCC4
Molecular Formula
C17H19N5O
Molecular Weight
309.37
References & Citations
[1]Yang DL, et al. Discovery of fused benzimidazole-imidazole autophagic flux inhibitors for treatment of triple-negative breast cancer. Eur J Med Chem. 2022 Jun 26;240:114565.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Autophagy-IN-2
CAS Number2755454-90-9
PubChem CID164886640
IUPAC Name4-(1H-benzimidazol-2-yl)-N-cyclohexyl-1H-imidazole-5-carboxamide
Molecular FormulaC17H19N5O
Molecular Weight309.4
XLogP2.7
Topological Polar Surface Area86.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity425
SMILES
C1CCC(CC1)NC(=O)C2=C(N=CN2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C17H19N5O/c23-17(20-11-6-2-1-3-7-11)15-14(18-10-19-15)16-21-12-8-4-5-9-13(12)22-16/h4-5,8-11H,1-3,6-7H2,(H,18,19)(H,20,23)(H,21,22)
InChIKey
JABMGIWPHDQZBN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Autophagy-IN-2
CAS: 2755454-90-9
CID: 164886640
Formula: C17H19N5O
MW: 309.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.4
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass309.15896025
Monoisotopic Mass309.15896025
Topological Polar Surface Area86.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity425
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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