(±)-SLV 319 - ≥98% , CAS No.362519-49-1

CAS: 362519-49-1 Cat. No.: S287862 分子式: C₂₃H₂₀Cl₂N₄O₂S 分子量: 487.4 PubChem CID: 11179267

グレード＆純度 ≥98%

Synonyms

(+/-)-SLV319(Ibipinabant) | 4-Chloro-N-[1-[3-(4-chloro-phenyl)-4-phenyl-4,5-dihydro-pyrazol-1-yl]-1-methylamino-meth-(E)-ylidene]-benzenesulfonamide | (E)-3-(4-chlorophenyl)-N-((4-chlorophenyl)sulfonyl)-N'-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboxi

Storage

2-8℃で保管、アルゴン充填

Shipped In

濡れた氷

概要

(±)-イビピナバント（(±)-SLV319）はSLV319のラセミ体である。(±)-イビピナバント（(±)-SLV319）は強力かつ選択的なカンナビノイド-1（CB-1）受容体拮抗薬で、IC50は22 nMである。

仕様

同義語

(+/-)-SLV319(Ibipinabant) | 4-Chloro-N-[1-[3-(4-chloro-phenyl)-4-phenyl-4,5-dihydro-pyrazol-1-yl]-1-methylamino-meth-(E)-ylidene]-benzenesulfonamide | (E)-3-(4-chlorophenyl)-N-((4-chlorophenyl)sulfonyl)-N'-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboxi

仕様と純度

≥98%

生化学的・生理学的メカニズム

高親和性かつ選択的なCB1受容体拮抗薬（Ki= 7.8 nM）。CB2受容体よりもCB1受容体に対して1000倍の選択性を示す。生体内でCP 55,940誘発性低血圧およびWIN 55,212-2誘発性低体温を抑制する。経口活性。

保管条件

2-8℃で保管、アルゴン充填

入荷

濡れた氷

アクションタイプ

ANTAGONIST

純度

≥98%

名前と識別子

パブケム・シド

488197249

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488197249

カノニカル・スマイル

CN=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

IUPAC Name

5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide

InChIKey

AXJQVVLKUYCICH-UHFFFAOYSA-N

INCHI

1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)

異性体SMILES

CN=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

PubChem CID

11179267

分子量

487.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Phenylpyrazoles Benzenesulfonamides Benzenesulfonyl compounds Chlorobenzenes Aryl chlorides Aminosulfonyl compounds Pyrazolines Organosulfonic acids and derivatives Guanidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organopnictogen compounds Imines Organic oxides Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Stilbene - Phenylpyrazole - Benzenesulfonamide - Benzenesulfonyl group - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Pyrazoline - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Guanidine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 48.74, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 4.87, Max Conc. mM: 10 with gentle warming
• 分子量: 487.400 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 486.068 Da
• Monoisotopic Mass: 486.068 Da
• Topological Polar Surface Area: 82.500 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 791.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 362519-49-1, the molecular formula is C23H20Cl2N4O2S, and the molecular weight is 487.4 g/mol. InChIKey AXJQVVLKUYCICH-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.