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DDO-02005

CAT: 0931-T62283-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T62283-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1186049-44-4
Target
Potassium Channel, Others
Related Pathways
Others, Membrane transporter/Ion channel
Bioactivity
DDO-02005 is a potent inhibitor of the Kv1.5 calcium channel (IC50: 0.72 μM) .DDO-02005 exhibits good anti-fibrillation effects in a CaCl2-ACh atrial fibrillation rat model and is effective against anti-aconitine-induced arrhythmias.
Smiles
Cl.Cl.COc1ccc(CNC2CCN(Cc3nc4ccccc4o3)CC2)cc1
Molecular Formula
C21H27Cl2N3O2
Molecular Weight
424.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
CAS Number1186049-44-4
PubChem CID44188606
IUPAC Name1-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
Molecular FormulaC21H27Cl2N3O2
Molecular Weight424.4
Topological Polar Surface Area50.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity419
SMILES
COC1=CC=C(C=C1)CNC2CCN(CC2)CC3=NC4=CC=CC=C4O3.Cl.Cl
InChI
InChI=1S/C21H25N3O2.2ClH/c1-25-18-8-6-16(7-9-18)14-22-17-10-12-24(13-11-17)15-21-23-19-4-2-3-5-20(19)26-21;;/h2-9,17,22H,10-15H2,1H3;2*1H
InChIKey
DVFKTQCMJJIJDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
CAS: 1186049-44-4
CID: 44188606
Formula: C21H27Cl2N3O2
MW: 424.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass423.1480325
Monoisotopic Mass423.1480325
Topological Polar Surface Area50.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity419
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19186326-01DDO-02005
HY-144801DDO-02005 (free base)
MBS5803937DDO-02005 free base
CSB-CL006593HUDDO
588344DDO (DASOX, DDO-1, DDO-2, FLJ45203, aspartic oxidase)
245248DDO (D-Aspartate Oxidase, DASOX, DDO-1, DDO-2, FLJ45203)
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BA4191-5.1DDO-5936
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