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GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥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
Shipped In
Ice chest + Ice pads
Overview Information
Asapiprant (S-555739) is a potent and selective antagonist for DP1 receptor with Ki of 0.44 nM.
Specifications 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
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Asapiprant (S-555739) is a potent and selective antagonist for DP1 receptor with Ki of 0.44 nM.
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Antagonist of DP 1 receptor
Product Properties Names and Identifiers Canonical Smiles 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) Isomeric SMILES CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)C4=NC=CO4)OCC(=O)O Alternate CAS 932372-01-5 MeSH Entry Terms 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 Molecular Weight 501.55 Reaxy-Rn 12877424 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12877424&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class 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 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 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.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 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
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