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Upidosin

CAT: 0931-T9762-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T9762-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
152735-23-4
Target
Adrenergic Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.9966
Bioactivity
Upidosin (SB-216469) is a potential uroselective α1-adrenoceptor antagonist, α1a subtype Ki=0.34 nM, α1b subtype Ki=3.9 nM, α1d subtype Ki=1.5 nM, α2-adrenoceptor Ki=33.3 nM.
Smiles
COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
Molecular Formula
C31H33N3O4
Molecular Weight
511.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Upidosin

Upidosin is a small molecule drug. Upidosin has a monoisotopic molecular weight of 511.25 Da.

CAS Number152735-23-4
PubChem CID148842
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
Molecular FormulaC31H33N3O4
Molecular Weight511.6
XLogP4.8
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity846
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5
InChI
InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)
InChIKey
DUCNHKDCVVSJLG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Upidosin
CAS: 152735-23-4
CID: 148842
Formula: C31H33N3O4
MW: 511.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.6
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass511.24710654
Monoisotopic Mass511.24710654
Topological Polar Surface Area71.1 Ų
Heavy Atom Count38
Formal Charge0
Complexity846
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

Alternative Products

CatalogName
BA5148-5Upidosin

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