Upidosin

CAT: 0931-T9762-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T9762-02Size:10 mg

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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 Number	152735-23-4
PubChem CID	148842
IUPAC Name	N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
Molecular Formula	C31H33N3O4
Molecular Weight	511.6
XLogP	4.8
Topological Polar Surface Area	71.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	38
Formal Charge	0
Complexity	846

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

CAS: 152735-23-4

CID: 148842

Formula: C31H33N3O4

MW: 511.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	511.6
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	511.24710654
Monoisotopic Mass	511.24710654
Topological Polar Surface Area	71.1 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	846
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BA5148-5	Upidosin

Upidosin

Chemical Information

Alternative Products

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