Asapiprant - Moligand™, ≥98% , Antagonist of DP 1 receptor, CAS No.932372-01-5, Antagonist of DP 1 receptor

CAS: 932372-01-5 Cat. No.: A412177 分子式: C₂₄H₂₇N₃O₇S 分子量: 501.55

GRADE & PURITY Moligand™, ≥98%

Synonyms

B2LW71CRGL | EX-A2993 | GTPL11951 | BGE 175 [WHO-DD] | AC-36280 | BGE175 | BGE-175 | Q27274281 | SR-01000392025-1 | Asapiprant [INN] | SCHEMBL1106973 | A16983 | AKOS037515672 | S-555739; S 555739; S555739 | D80655 | (C6H5)2PCH2CH2P(C6H5)2 | UNII-B2LW71CRG

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

Asapiprant (S-555739) is a potent and selective antagonist for DP1 receptor with Ki of 0.44 nM.

Specifications

同義語

B2LW71CRGL | EX-A2993 | GTPL11951 | BGE 175 [WHO-DD] | AC-36280 | BGE175 | BGE-175 | Q27274281 | SR-01000392025-1 | Asapiprant [INN] | SCHEMBL1106973 | A16983 | AKOS037515672 | S-555739; S 555739; S555739 | D80655 | (C6H5)2PCH2CH2P(C6H5)2 | UNII-B2LW71CRG

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

Asapiprant (S-555739) is a potent and selective antagonist for DP1 receptor with Ki of 0.44 nM.

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 DP 1 receptor

純度

≥98%

製品の性質

• ALogP: 3.1

名前と識別子

• パブケム・シド: 528763328
• カノニカル・スマイル: CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)C4=NC=CO4)OCC(=O)O
• IUPAC Name: 2-[2-(1,3-oxazol-2-yl)-5-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]phenoxy]acetic acid
• InChIKey: ZMZNWNTZRWXTJU-UHFFFAOYSA-N
• INCHI: 1S/C24H27N3O7S/c1-17(2)34-19-4-6-20(7-5-19)35(30,31)27-12-10-26(11-13-27)18-3-8-21(24-25-9-14-32-24)22(15-18)33-16-23(28)29/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,28,29)
• 異性体SMILES: CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)C4=NC=CO4)OCC(=O)O
• 代替CAS番号: 932372-01-5
• MeSH用語: 2-(2-(oxazol-2-yl)-5-(4-(4-((propan-2-yl)oxy)benzenesulfonyl(piperazin-1-yl)phenoxy)acetic acid;asapiprant;BGE 175;BGE-175;S-555739
• 分子量: 501.55
• Reaxy-Rn: 12877424
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12877424&ln=

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 Phenyl-1,3-oxazoles Phenoxyacetic acid derivatives Benzenesulfonamides Aminophenyl ethers Benzenesulfonyl compounds Phenoxy compounds Aniline and substituted anilines Dialkylarylamines Alkyl aryl ethers Organosulfonamides Sulfonyls Heteroaromatic compounds Amino acids Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Phenyl-1,3-oxazole - Phenoxyacetate - Benzenesulfonamide - Aminophenyl ether - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Amino acid or derivatives - Amino acid - Tertiary amine - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic 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

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

関連ターゲット（人間）

PTGDR Tclin Prostaglandin D2 receptor (0 Activities)

Discover Target: PTGDR

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

PTGFR Tclin Prostanoid FP receptor (687 Activities)

Discover Target: PTGFR

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

PTGER2 Tclin Prostanoid EP2 receptor (1730 Activities)

Discover Target: PTGER2

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

PTGIR Tclin Prostanoid IP receptor (1280 Activities)

Discover Target: PTGIR

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

TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

Discover Target: TBXA2R

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

PTGER1 Tclin Prostanoid EP1 receptor (1696 Activities)

Discover Target: PTGER1

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

PTGER4 Tclin Prostanoid EP4 receptor (2181 Activities)

Discover Target: PTGER4

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

PTGER3 Tclin Prostanoid EP3 receptor (1985 Activities)

Discover Target: PTGER3

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

PTGDR Tclin Prostanoid DP receptor (1356 Activities)

Discover Target: PTGDR

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 501.600 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 501.157 Da
• Monoisotopic Mass: 501.157 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 789.000
• 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