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V-ATPase-IN-1

CAT: 0931-T200467-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T200467-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1243603-61-3
Target
Proton pump
Related Pathways
Membrane transporter/Ion channel
Bioactivity
V-ATPase-IN-1 (Compound 3b-03) is an inhibitor of Vacuolar-type H+-ATPases (V-ATPase), exhibiting an inhibition constant (IC50) of 194.80 μM and effectively targeting the V-ATPase subunit A with a dissociation constant (Kd) of 0.803 μM. This compound demonstrates insecticidal activity against M. separata (LC50 = 2.64 mM), aiding in the development of chemical insecticides.
Smiles
ClC=1C=C(C=C(OC)C1OCC=2C=CC=CC2)CNC=3C=CC=CC3
Molecular Formula
C21H20ClNO2
Molecular Weight
353.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

V-ATPase-IN-1
CAS Number1243603-61-3
PubChem CID49950088
IUPAC NameN-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]aniline
Molecular FormulaC21H20ClNO2
Molecular Weight353.8
XLogP5.5
Topological Polar Surface Area30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity369
SMILES
COC1=C(C(=CC(=C1)CNC2=CC=CC=C2)Cl)OCC3=CC=CC=C3
InChI
InChI=1S/C21H20ClNO2/c1-24-20-13-17(14-23-18-10-6-3-7-11-18)12-19(22)21(20)25-15-16-8-4-2-5-9-16/h2-13,23H,14-15H2,1H3
InChIKey
OWIHKEZYFBVCNY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of V-ATPase-IN-1
CAS: 1243603-61-3
CID: 49950088
Formula: C21H20ClNO2
MW: 353.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.8
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass353.1182566
Monoisotopic Mass353.1182566
Topological Polar Surface Area30.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity369
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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Alternative Products

CatalogName
GTR19238911-01V-ATPase-IN-1
sc-293336V-ATPase α1 (4F5)
YP-W23309-01Mouse V-ATPase (V-ATPase) ELISA Kit
sc-63199V-ATPase α1 siRNA (h)
GTR19262043-01Tubulin polymerization/V-ATPase-IN-1
sc-63200-PRV-ATPase α1 (m) -PR
sc-63199-PRV-ATPase α1 (h) -PR
sc-63200V-ATPase α1 siRNA (m)
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