SW 033291 - ≥98%(HPLC) , CAS No.459147-39-8

CAS: 459147-39-8 Cat. No.: S288218 分子式: C₂₁H₂₀N₂OS₃ 分子量: 412.59 EC番号: 845-797-3 PubChem CID: 3337839

GRADE & PURITY ≥98%(HPLC)

Synonyms

NSC787269 | s7900 | SB19146 | SCHEMBL15525569 | 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine | US9789116, SW033291 | AC-32909 | SW033291, >=98% (HPLC) | 2-(Butylsulfinyl)-4-phenyl-6-(2-thienyl)-thieno[2,3-b]pyridin-3-amine | Z22138

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Description
SW033291 is a selective inhibitor of 15-hydroxyprostaglandin dehydrogenase (15-PGDH) with IC50 and Kiapp of 1.5 nM and 0.1 nM, respectively.

Specifications

同義語

NSC787269 | s7900 | SB19146 | SCHEMBL15525569 | 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine | US9789116, SW033291 | AC-32909 | SW033291, >=98% (HPLC) | 2-(Butylsulfinyl)-4-phenyl-6-(2-thienyl)-thieno[2,3-b]pyridin-3-amine | Z22138

仕様と純度

≥98%(HPLC)

生化学的・生理学的メカニズム

SW033291 is an inhibitor of the prostaglandin-degrading enzyme 15-PGDH. PGE2 is known to promote hematopoiesis and to promote reeneration by causing stem cells to proliferate. 15-PGDH degrades prostaglandin PGE2 and is a negative regulator of tissue regen

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。

純度

≥98%(HPLC)

名前と識別子

• パブケム・シド: 504762539
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504762539
• カノニカル・スマイル: CCCCS(=O)C1=C(C2=C(S1)N=C(C=C2C3=CC=CC=C3)C4=CC=CS4)N
• IUPAC Name: 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
• InChIKey: LCYAYKSMOVLVRL-UHFFFAOYSA-N
• INCHI: 1S/C21H20N2OS3/c1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17/h4-11,13H,2-3,12,22H2,1H3
• 異性体SMILES: CCCCS(=O)C1=C(C2=C(S1)N=C(C=C2C3=CC=CC=C3)C4=CC=CS4)N
• PubChem CID: 3337839
• 分子量: 412.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Thienopyridines Benzene and substituted derivatives Aminothiophenes Heteroaromatic compounds Sulfoxides Sulfinyl compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylpyridine - Thienopyridine - Aminothiophene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Sulfoxide - Azacycle - Sulfinyl compound - Hydrocarbon derivative - Primary amine - Organic oxide - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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）

HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD(+)] (2 Activities)

Discover Target: HPGD

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

Liver (3974 Activities)

Explore this target

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

HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

Discover Target: HPGD

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

関連ターゲット（非人間）

Mus musculus (284745 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Plasma (328 Activities)

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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

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 41.26, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 8.25, Max Conc. mM: 20
• 融点（°C）: >99°C (Dec)
• 分子量: 412.600 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 412.074 Da
• Monoisotopic Mass: 412.074 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 514.000
• 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