PK-THPP - Moligand™,≥98% , CAS No.1332454-07-5

CAS: 1332454-07-5 Cat. No.: P286893 分子式: C₂₉H₃₂N₄O₂ 分子量: 468.59 PubChem CID: 53464059

GRADE & PURITY Moligand™, ≥98%

Synonyms

1-[1-[6-([1,1′-Biphenyl]-4-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]-4-piperidinyl]-1-butanone | PKTHPP | 1-[1-[6-[[1,1'-Biphenyl]-4-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]-4-piperidinyl]-1-butanone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

PK-THPP is a potent and brain-penetrant TWIK-related acid-sensitive K+ ion channel (K2P9.1 or TASK-3) blocker with IC50s of 35 nM and 300 nM for TASK-3 and TASK-1, respectively. PK-THPP shows no or less activity against other K+ channels. PK-THPP is an effective breathing stimulant and can be used for the study of breathing disorders

Specifications

同義語

1-[1-[6-([1,1′-Biphenyl]-4-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]-4-piperidinyl]-1-butanone | PKTHPP | 1-[1-[6-[[1,1'-Biphenyl]-4-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]-4-piperidinyl]-1-butanone

仕様と純度

Moligand™,≥98%

生化学的・生理学的メカニズム

Potent TASK-3 channel blocker (IC50= 35 and 300 nM for TASK-3 and TASK-1 respectively). Increases breathing rate and induces respiratory alkalosis in rats. PK-THPP is a potent antagonist of tandem pore potassium channel subunit TASK-3 (KCNK9, K2P9.1) with

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

INHIBITOR

純度

≥98%

名前と識別子

• カノニカル・スマイル: CCCC(=O)C1CCN(CC1)C2=NC=NC3=C2CN(CC3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5
• IUPAC Name: 1-[1-[6-(4-phenylbenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-yl]butan-1-one
• InChIKey: CJZGRIRZVHNUSM-UHFFFAOYSA-N
• INCHI: 1S/C29H32N4O2/c1-2-6-27(34)23-13-16-32(17-14-23)28-25-19-33(18-15-26(25)30-20-31-28)29(35)24-11-9-22(10-12-24)21-7-4-3-5-8-21/h3-5,7-12,20,23H,2,6,13-19H2,1H3
• 異性体SMILES: CCCC(=O)C1CCN(CC1)C2=NC=NC3=C2CN(CC3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5
• PubChem CID: 53464059
• 分子量: 468.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Pyridopyrimidines Benzamides Dialkylarylamines Benzoyl derivatives Aminopyrimidines and derivatives Pyridines and derivatives Piperidines Imidolactams Gamma-amino ketones Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biphenyl - Pyridopyrimidine - Benzamide - Benzoic acid or derivatives - Benzoyl - Dialkylarylamine - Aminopyrimidine - Gamma-aminoketone - Piperidine - Pyridine - Pyrimidine - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Ketone - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C 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）

KCNK3 Tclin Potassium channel subfamily K member 3 (3 Activities)

Discover Target: KCNK3

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

KCNK9 Tclin Potassium channel subfamily K member 9 (3 Activities)

Discover Target: KCNK9

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

U2OS (164939 Activities)

Explore this target

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

HEK-293T (167025 Activities)

Explore this target

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）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Kcnk3 Potassium channel subfamily K member 3 (21 Activities)

Discover Target: Kcnk3

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

Kcnk9 Potassium channel subfamily K member 9 (8 Activities)

Discover Target: Kcnk9

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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: 23.43, Max Conc. mM: 50; Solvent:1eq. HCl, Max Conc. mg/mL: 9.37, Max Conc. mM: 20 with gentle warming
• 分子量: 468.600 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 468.253 Da
• Monoisotopic Mass: 468.253 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 707.000
• 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

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.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 1332454-07-5, the molecular formula is C29H32N4O2, and the molecular weight is 468.59 g/mol. InChIKey CJZGRIRZVHNUSM-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.