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

CAS: 129075-73-6 Cat. No.: D275293 분자식: C₁₈H₂₆N₂O₂ 분자량: 302.41 EC 번호: 635-568-4

등급 & 순도 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

20°C, 건조 보관

Shipped In

아이스 박스 + 아이스 패드

개요

DPQ는 강력한 PARP-1 억제제입니다. DPQ는 N-메틸-D-아스파르트산염(NMDA)에 의한 PARP 활성화를 감소시켜 ATP를 거의 통제 수준으로 회복시키고 심각한 NMDA 노출 모델에서 신경세포 손상을 현저히 완화할 수 있습니다. DPQ는 신경 보호 연구에 사용될 수 있습니다

사양

동의어

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]- |

사양 및 순도

몰리건드™, ≥98%

생화학 및 생리적 메커니즘

허혈의 영향으로 3,4- 디 하이드로 -5- [4- (1- 피 페리 디닐) 부톡시] -1 (2H)-이소 퀴 놀리 논 (DPQ)은 PARP 1 (폴리 (ADP 리보스) 폴리머 라제 1) - 매개 세포 사멸을 감소시킬 수있는 것으로 알려져 있습니다. 이 약은 더 효과적인 억제제로 간주됩니다

애플리케이션

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.

보관 조건

20°C, 건조 보관

배송

아이스 박스 + 아이스 패드

등급

Moligand™

작업 유형

INHIBITOR

참고

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순수함

≥98%

이름과 식별자

정식 스마일

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)

이성체 SMILES

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

대체 CAS

84050-22-6

분자량

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
    • 분류 Isoquinolines and derivatives
      • Subclass Isoquinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in DMSO to 10 mM
• 녹는점(°C): 107-109 °C
• 분자량: 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