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RS-100329

CAT: 0804-HY-116379Size: 1 EachDry Ice: NoHazardous: No
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Description
RS-100329 is an α1-adrenergic receptor (α1-AR) antagonist that effectively inhibits α1-adrenergic receptor-mediated contractions of lower urinary tract tissues in vitro and in vivo. RS-100329 can be used in the research of symptoms related to benign prostatic hyperplasia[1].
CAS Number
232953-52-5
UNSPSC
12352005
Target
Adrenergic Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/rs-100329.html
Solubility
10 mM in DMSO
Smiles
CC1=CNC(N(C1=O)CCCN2CCN(C3=CC=CC=C3OCC(F)(F)F)CC2)=O
Molecular Formula
C20H25F3N4O3
Molecular Weight
426.43
References & Citations
[1]Williams TJ, et al. In vitro alpha1-adrenoceptor pharmacology of Ro 70-0004 and RS-100329, novel alpha1A-adrenoceptor selective antagonists. Br J Pharmacol. 1999;127 (1) :252-258.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

RS-100329

5-methyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]-1-piperazinyl]propyl]-1H-pyrimidine-2,4-dione is a member of piperazines.

CAS Number232953-52-5
PubChem CID3567002
IUPAC Name5-methyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
Molecular FormulaC20H25F3N4O3
Molecular Weight426.4
XLogP2.7
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity648
SMILES
CC1=CNC(=O)N(C1=O)CCCN2CCN(CC2)C3=CC=CC=C3OCC(F)(F)F
InChI
InChI=1S/C20H25F3N4O3/c1-15-13-24-19(29)27(18(15)28)8-4-7-25-9-11-26(12-10-25)16-5-2-3-6-17(16)30-14-20(21,22)23/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,24,29)
InChIKey
RCOBWVAGWYRNHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RS-100329
CAS: 232953-52-5
CID: 3567002
Formula: C20H25F3N4O3
MW: 426.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass426.18787516
Monoisotopic Mass426.18787516
Topological Polar Surface Area65.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity648
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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