3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone

Base Information

Chemical Name:3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone
CAS No.:129075-73-6
Molecular Formula:C₁₈H₂₆N₂O₂
Molecular Weight:302.417
Hs Code.:
European Community (EC) Number:635-568-4
UNII:5007H57E2L
DSSTox Substance ID:DTXSID10433229
Nikkaji Number:J1.676.392F
Wikidata:Q27260726
Pharos Ligand ID:WBN72R86TPZH
ChEMBL ID:CHEMBL127336
Mol file:129075-73-6.mol

Synonyms:3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone

Suppliers and Price of 3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
DPQ
1mg
$ 282.00

TRC
3,4-Dihydro-5-[4-(1-piperidinyl)butoxy]-1(2H)-isoquinolinone
1mg
$ 45.00

TRC
3,4-Dihydro-5-[4-(1-piperidinyl)butoxy]-1(2H)-isoquinolinone
25mg
$ 730.00

Sigma-Aldrich
DPQ ≥98% (HPLC), solid
5mg
$ 372.00

Sigma-Aldrich
DPQ ≥98% (HPLC), solid
1mg
$ 109.00

Sigma-Aldrich
PARP Inhibitor III, DPQ
1mg
$ 97.12

Cayman Chemical
DPQ ≥99%
1mg
$ 44.00

Cayman Chemical
DPQ ≥99%
5mg
$ 165.00

AK Scientific
3,4-Dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone
5mg
$ 322.00

Adipogen Life Sciences
DPQ ≥99%(NMR)
5 mg
$ 160.00

Total 10 raw suppliers

Chemical Property of 3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:107-109°
Boiling Point:528.802oC at 760 mmHg
PKA:14.54±0.20(Predicted)
Flash Point:273.61oC
PSA：41.57000
Density:1.096g/cm3
LogP:2.88410
Storage Temp.:2-8°C
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:302.199428076
Heavy Atom Count:22
Complexity:355

Purity/Quality:

98%,99%, ^*data from raw suppliers

DPQ ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1CCN(CC1)CCCCOC2=CC=CC3=C2CCNC3=O
Description The poly(ADP-ribose) polymerases (PARPs) form a family of enzymes with roles in DNA repair and apoptosis, particularly in response to reactive oxygen and nitrogen species. DPQ is a potent inhibitor of PARPs, inhibiting PARP1 with an IC50 value of 40 nM. It is approximately 10-fold less potent against PARP2. DPQ can be used in either cells or in animals.
Uses 3,4-Dihydro-5-[4-(1-piperidinyl)butoxy]-1(2H)-isoquinolinone is a potent inhibitor of poly(ADP-ribose) polymerases, a family of enzymes that plays a crucial role in DNA repair and apoptosis in respons e to reactive oxygen and nitrogen species. Reagent for inhibition of PARP. 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.

Technology Process of 3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone

There total 3 articles about 3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 110-89-4
piperidine

: C₁₃H₁₆BrNO₂

: 129075-73-6
3,4-dihydro-5-[4-(1-piperidinyl)butoxy]-1(2H)-isoquinolinone

Guidance literature:: With potassium phosphate; at 65 ℃; for 4h;
DOI:10.1016/j.ejmech.2020.112616

Reference yield:

: 56469-02-4
3,4-dihydro-5-hydroxy-1(2H)-isoquinolinone

: 129075-73-6
3,4-dihydro-5-[4-(1-piperidinyl)butoxy]-1(2H)-isoquinolinone

Guidance literature:: Multi-step reaction with 2 steps

1: potassium phosphate / 0.5 h / 65 °C

2: potassium phosphate / 4 h / 65 °C

With potassium phosphate;
DOI:10.1016/j.ejmech.2020.112616