upidosin - Moligand™ , Antagonist of α 1A-adrenoceptor;Antagonist of α 1B-adrenoceptor;Antagonist of α 1D-adrenoceptor, CAS No.152735-23-4, Antagonist of α 1A-adrenoceptor;Antagonist of α 1B-adrenoceptor;Antagonist of α 1D-adrenoceptor

CAS: 152735-23-4 Cat. No.: U614671 PubChem CID: 148842

GRADE & PURITY Moligand™

Synonyms

Upidosin [INN] | SCHEMBL6638869 | UNII-TXG28R7G4Y | Rec 15/2739 | 4H-1-Benzopyran-8-carboxamide, N-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)-3-methyl-4-oxo-2-phenyl- | N-(3-(4-(o-Methoxyphenyl)-1-piperazinyl)propyl)-3-methyl-4-oxo-2-phenyl-4H-1-benzop

Storage

Room temperature

Specifications

Synonyms

Upidosin [INN] | SCHEMBL6638869 | UNII-TXG28R7G4Y | Rec 15/2739 | 4H-1-Benzopyran-8-carboxamide, N-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)-3-methyl-4-oxo-2-phenyl- | N-(3-(4-(o-Methoxyphenyl)-1-piperazinyl)propyl)-3-methyl-4-oxo-2-phenyl-4H-1-benzop

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of α 1A-adrenoceptor;Antagonist of α 1B-adrenoceptor;Antagonist of α 1D-adrenoceptor

Names and Identifiers

• Canonical Smiles: COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C
• IUPAC Name: N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
• InChIKey: DUCNHKDCVVSJLG-UHFFFAOYSA-N
• 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)
• Isomeric SMILES: CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5
• PubChem CID: 148842

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Flavonoids
      • Subclass Flavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Flavonoids
• Subclass: Flavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavones
• Alternative Parents: Phenylpiperazines N-arylpiperazines Chromones Aminophenyl ethers Methoxyanilines Anisoles Dialkylarylamines Methoxybenzenes Phenoxy compounds N-alkylpiperazines Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavone - Phenylpiperazine - N-arylpiperazine - Chromone - Benzopyran - 1-benzopyran - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - N-alkylpiperazine - Alkyl aryl ether - Pyranone - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyran - Heteroaromatic compound - Carboxamide group - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Ether - Azacycle - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ADRA1B Tclin Alpha-1B adrenergic receptor (3 Activities)

Discover Target: ADRA1B

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADRA1D Tclin Alpha-1D adrenergic receptor (3 Activities)

Discover Target: ADRA1D

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADRA1A Tclin Alpha-1A adrenergic receptor (4 Activities)

Discover Target: ADRA1A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HTR1A Tclin 5-hydroxytryptamine receptor 1A (1 Activities)

Discover Target: HTR1A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

Discover Target: HTR1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)

Discover Target: ADRA1D

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

Discover Target: ADRA1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)

Discover Target: ADRA1B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Canis familiaris (36305 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Adra1b Adrenergic receptor alpha-1 (5652 Activities)

Discover Target: Adra1b

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 511.600 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 511.247 Da
• Monoisotopic Mass: 511.247 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 846.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 152735-23-4. InChIKey DUCNHKDCVVSJLG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.