DPQ - Moligand™, ≥98% , CAS No.129075-73-6

CAS: 129075-73-6 Cat. No.: D275293 分子式: C₁₈H₂₆N₂O₂ 分子量: 302.41 EC番号: 635-568-4

グレード＆純度 Moligand™, ≥98%

Synonyms

32Z | 5-[4-(1-Piperidinyl)-butyloxy]-1,2,3,4-tetrahydroisoquinolin-1-one | EX-A8022 | HY-114869 | AC-10288 | 5-(4-(Piperidin-1-yl)butoxy)-3,4-dihydroisoquinolin-1(2H)-one | UNII-5007H57E2L | 1(2H)-Isoquinolinone, 3,4-dihydro-5-[4-(1-piperidinyl)butoxy]- |

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

DPQ is a potent PARP-1 inhibitor. DPQ can reduce the N-methyl-d-aspartate (NMDA)-induced PARP activation, restoring ATP to near control levels and significantly attenuating neuronal injury in the severe NMDA exposure model. DPQ can be used for researching neuroprotection.

仕様

同義語

32Z | 5-[4-(1-Piperidinyl)-butyloxy]-1,2,3,4-tetrahydroisoquinolin-1-one | EX-A8022 | HY-114869 | AC-10288 | 5-(4-(Piperidin-1-yl)butoxy)-3,4-dihydroisoquinolin-1(2H)-one | UNII-5007H57E2L | 1(2H)-Isoquinolinone, 3,4-dihydro-5-[4-(1-piperidinyl)butoxy]- |

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

Under the influence of ischemia, it is known that 3,4-dihydro-5- [4- (1-piperidinyl) butoxy] -1 (2H) - isoquinolinone (DPQ) can reduce PARP 1 (poly (ADP ribose) polymerase 1) - mediated cell apoptosis. It is considered a more effective inhibitor than the

申し込み

DPQ has been used as a PARP1 (poly(ADP-ribose) polymerase 1) inhibitor in in vivo studies to determine the loss of γ-H2AX (H2A histone family member X) upon irradiation.

保管条件

Store at -20°C,Desiccated

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

注

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純度

≥98%

名前と識別子

カノニカル・スマイル

C1CCN(CC1)CCCCOC2=CC=CC3=C2CCNC3=O

IUPAC Name

5-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one

InChIKey

RVOUDNBEIXGHJY-UHFFFAOYSA-N

INCHI

1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)

異性体SMILES

C1CCN(CC1)CCCCOC2=CC=CC3=C2CCNC3=O

代替CAS番号

84050-22-6

分子量

302.41

Reaxy-Rn

9578227

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9578227&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Isoquinolines and derivatives
      • Subclass Isoquinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Isoquinolines and derivatives
• Subclass: Isoquinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolones and derivatives
• Alternative Parents: Tetrahydroisoquinolines Phenol ethers Alkyl aryl ethers Piperidines Trialkylamines Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinolone - Tetrahydroisoquinoline - Phenol ether - Alkyl aryl ether - Piperidine - Benzenoid - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
• 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）

TRPM2 Tchem Transient receptor potential cation channel subfamily M member 2 (1 Activities)

Discover Target: TRPM2

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

PARP1 Tclin Poly [ADP-ribose] polymerase 1 (1 Activities)

Discover Target: PARP1

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

PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

Discover Target: PARP1

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

HL-60 (67320 Activities)

Explore this target

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

TRPM2 Tchem Transient receptor potential cation channel subfamily M member 2 (348 Activities)

Discover Target: TRPM2

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: Soluble in DMSO to 10 mM
• 融点（°C）: 107-109 °C
• 分子量: 302.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 302.199 Da
• Monoisotopic Mass: 302.199 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 355.000
• 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