Name: PSB 603 - Moligand™, ≥98%(HPLC) , Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor, CAS No.1092351-10-4, Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor
Brand: Aladdin Scientific
SKU: P287161
Availability: InStock

PSB 603 - Moligand™, ≥98%(HPLC) , Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor, CAS No.1092351-10-4, Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor

CAS: 1092351-10-4 Cat. No.: P287161 分子式: C₂₄H₂₅ClN₆O₄S 分子量: 529.01 EC番号: 873-191-9 PubChem CID: 44185871

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PSB 603 - Moligand™, ≥98%(HPLC) CAS No(1092351-10-4) by Aladdin Scientific

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注文可能

グレード＆純度 Moligand™ ? ≥98%(HPLC)

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

仕様名前と識別子詳細データ Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

仕様

同義語

仕様と純度

Moligand™, ≥98%(HPLC)

生化学的・生理学的メカニズム

Adenosine A2Breceptor antagonist that displays > 17000-fold selectivity over other adenosine receptors (Kivalues are 0.553, > 10000, > 10000 and > 10000 nM for A2B, A1, A2Aand A3receptors respectively).

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor

純度

≥98%(HPLC)

名前と識別子

カノニカル・スマイル

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)Cl

IUPAC Name

8-[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione

InChIKey

OVHCTHHFOHMNFV-UHFFFAOYSA-N

INCHI

1S/C24H25ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)

異性体SMILES

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)Cl

代替CAS番号

1092351-10-4

PubChem CID

44185871

MeSH用語

8-(4-(4-(4-chlorophenyl)piperazine-1-sulfonyl)phenyl)-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione;psb-603

分子量

529.01

詳細データ

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
分類	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpiperazines
Alternative Parents	N-arylpiperazines Xanthines Phenylimidazoles 6-oxopurines Benzenesulfonamides Alkaloids and derivatives Benzenesulfonyl compounds Aniline and substituted anilines Dialkylarylamines Pyrimidones Chlorobenzenes Aryl chlorides Organosulfonamides Heteroaromatic compounds Vinylogous amides Sulfonyls Ureas Lactams Azacyclic compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-arylpiperazine - Phenylpiperazine - Xanthine - 2-phenylimidazole - 6-oxopurine - Benzenesulfonamide - Purinone - Benzenesulfonyl group - Imidazopyrimidine - Alkaloid or derivatives - Purine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Halobenzene - Pyrimidone - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Organosulfonic acid amide - Sulfonyl - Vinylogous amide - Azole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Imidazole - Heteroaromatic compound - Urea - Tertiary amine - Lactam - Azacycle - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
説明	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

3 D構造

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レビュー

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溶解度	Solvent:DMSO, Max Conc. mg/mL: 26.45, Max Conc. mM: 50
分子量	529.000 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	528.135 Da
Monoisotopic Mass	528.135 Da
Topological Polar Surface Area	127.000 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	908.000
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