1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide

Base Information Edit

Chemical Name:1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide
CAS No.:85532-75-8
Deprecated CAS:85340-56-3
Molecular Formula:C21H21ClN2O
Molecular Weight:352.864
Hs Code.:
UNII:YNF83VN1RL
DSSTox Substance ID:DTXSID7041097
Nikkaji Number:J22.964D
Wikipedia:PK-11195
Wikidata:Q7119490
Pharos Ligand ID:KN8HLN57HRC9
Metabolomics Workbench ID:66346
ChEMBL ID:CHEMBL481537
Mol file:85532-75-8.mol

Synonyms:(13C)PK11195;(3H)PK11195;1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide;PK 11195;PK-11195;PK11195;RP 52028

Suppliers and Price of 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide

Supply Marketing:Edit

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

TRC
PK 11195
10mg
$ 45.00

TRC
PK 11195
5mg
$ 40.00

Tocris
PK 11195 ≥98%(HPLC)
50
$ 360.00

Sigma-Aldrich
PK 11195
10mg
$ 107.00

Sigma-Aldrich
PK11195 - CAS 85532-75-8 - Calbiochem
10 mg
$ 86.50

Sigma-Aldrich
PK11195 - CAS 85532-75-8 - Calbiochem
5059810001
$ 83.40

Sigma-Aldrich
PK 11195
50mg
$ 387.00

Medical Isotopes, Inc.
PK 11195
250 mg
$ 1400.00

Medical Isotopes, Inc.
PK 11195
50 mg
$ 700.00

Medical Isotopes, Inc.
PK 11195
25 mg
$ 640.00

Total 14 raw suppliers

Chemical Property of 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide Edit

Chemical Property:

Vapor Pressure:1.38E-10mmHg at 25°C
Melting Point:74-75
Refractive Index:1.611
Boiling Point:511.7°C at 760 mmHg
PKA:1.76±0.50(Predicted)
Flash Point:263.3°C
PSA：33.20000
Density:1.179g/cm³
LogP:5.42570
Storage Temp.:Store at RT
Solubility.:Soluble in DMSO (up to 25 mg/ml) or in Ethanol (up to 15 mg/ml).
XLogP3:5.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:352.1342410
Heavy Atom Count:25
Complexity:457

Purity/Quality:

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

PK 11195 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl
Description PK-11195 (85532-75-8) is a selective and potent peripheral benzodiazepine receptor, PBR (or TSPO, translocator protein) antagonist.1,2 It has been shown to chemosensitize tumor cells to a variety of chemotherapeutic agents via PBR-independent pathways.3,4 PK-11195 is also able to induce apoptosis in a variety of cell lines.5-7
Uses PK 11195 is a high affinity peripheral benzodiazepine receptor (PBR) ligand. PK 11195 has been shown to regulate protein phosphorylation in rat brain mitochondria under control of Ca2+. PK11195 promot es mitochondrial apoptosis and blocks P-glycoprotein (Pgp)-mediated drug efflux to chemosensitize cancer cells. PK 11195 is a high affinity peripheral benzodiazepine receptor (PBR) ligand. PK 11195 has been shown to regulate protein phosphorylation in rat brain mitochondria under control of Ca2+. PK11195 promotes mitochondrial apoptosis and blocks P-glycoprotein (Pgp)-mediated drug efflux to chemosensitize cancer cells.

Technology Process of 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide

There total 3 articles about 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 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: 84.0%