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A-119637 - 95％, high purity , CAS No.255713-47-4, Antagonist of α 1A-adrenoceptor;Antagonist of α 1B-adrenoceptor;Antagonist of α 1D-adrenoceptor

COA

Grade & Purity:

Moligand™

≥95%

Cas Number: 255713-47-4
Molecular Weight: 462.56
PubChem CID: 9890547

In stock

Item Number

A607279

Grouped product items
SKU	Size	Availability	Price
A607279-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$85.90
A607279-5mg	5mg	2	$299.90
A607279-25mg	25mg	2	$999.90
A607279-50mg	50mg	1	$1,499.90
A607279-100mg	100mg	1	$1,899.90

View related series

α1A-adrenoceptor Antagonist (33) α1B-adrenoceptor Antagonist (28) α1D-adrenoceptor Antagonist (29)

Basic Description

Synonyms	A 119637;A119637
Specifications & Purity	Moligand™, ≥95%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of α 1A-adrenoceptor;Antagonist of α 1B-adrenoceptor;Antagonist of α 1D-adrenoceptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpiperazines
Alternative Parents	N-arylpiperazines Aminophenyl ethers Methoxyanilines Thienopyrimidines Anisoles Dialkylarylamines Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyrimidones N-alkylpiperazines Thiophenes Heteroaromatic compounds Vinylogous amides Lactams Trialkylamines Ureas Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-arylpiperazine - Phenylpiperazine - Thienopyrimidine - Aminophenyl ether - Methoxyaniline - Tertiary aliphatic/aromatic amine - Phenoxy compound - Dialkylarylamine - Aniline or substituted anilines - Anisole - Methoxybenzene - Phenol ether - Pyrimidone - N-alkylpiperazine - Alkyl aryl ether - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Vinylogous amide - Thiophene - Heteroaromatic compound - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors	Not available
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)

ADRA2C Tclin Alpha-2C adrenergic receptor (1 Activities)

Discover Target: ADRA2C

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

ADRA1B Tclin Alpha-1B adrenergic receptor (2 Activities)

Discover Target: ADRA1B

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

ADRA2A Tclin Alpha-2A adrenergic receptor (1 Activities)

Discover Target: ADRA2A

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)

ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

Discover Target: ADRA2A

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

DRD2 Tclin Dopamine D2 receptor (23596 Activities)

Discover Target: DRD2

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

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

Discover Target: DRD1

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

ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)

Discover Target: ADRA2B

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

ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)

Discover Target: ADRA2C

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1H-thieno[3,2-e]pyrimidine-2,4-dione
INCHI	InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
InChIKey	HLVQBOYEHQRWHG-UHFFFAOYSA-N
Smiles	COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1
Isomeric SMILES	COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)C4=C(NC3=O)SC=C4C5=CC=CC=C5
PubChem CID	9890547
Molecular Weight	462.56

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot Number	Certificate Type	Date	Item
C2414189	Certificate of Analysis	Feb 02, 2024	A607279
C2414201	Certificate of Analysis	Feb 02, 2024	A607279
C2414203	Certificate of Analysis	Feb 02, 2024	A607279
C2414200	Certificate of Analysis	Feb 02, 2024	A607279
C2414202	Certificate of Analysis	Feb 02, 2024	A607279
C2414190	Certificate of Analysis	Feb 02, 2024	A607279
C2414191	Certificate of Analysis	Feb 02, 2024	A607279
C24141880	Certificate of Analysis	Feb 02, 2024	A607279
C2414188	Certificate of Analysis	Feb 02, 2024	A607279

Chemical and Physical Properties

Molecular Weight	462.600 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	462.173 Da
Monoisotopic Mass	462.173 Da
Topological Polar Surface Area	93.400 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	695.000
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

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