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

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

CAS No:
85532-75-8
Formula:
C21H21ClN2O
Chemical Name:
1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide
Synonyms:
3-Isoquinolinecarboxamide,1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)-;1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide;PK 11195;RP 52028;N-Methyl-N-(1-methylpropyl)-1-(2-chlorophenyl)isoquinoline-3-carboxamide;85340-56-3

Description

PK-11195 is a ligand of translocator protein (TSPO), which targets Leishmania chemotherapy, with IC50s of 14.2 μM, 8.2 μM, 3.5 μM for L. amazonensis, L. major and L. braziliensis, respectively.

PK-11195 is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine It has a role as an antineoplastic agent. It is a member of isoquinolines, a monocarboxylic acid amide, an aromatic amide and a member of monochlorobenzenes.

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

Molecular Weight：

352.86

Exact Mass：

352.86

DSSTox ID：

DTXSID7041097

Characteristics

PSA：

33.2

XLogP3：

4.58

Density：

1.2±0.1 g/cm3

Melting Point：

74-75

Boiling Point：

511.7±45.0 °C at 760 mmHg

Flash Point：

263.3±28.7 °C

Refractive Index：

1.611

Storage Conditions：

Store at RT

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

RTECS Number：

NW6987000

Drug Information

MeSH：

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

MeSH Entry Terms：

(13C)PK11195

1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide Use and Manufacturing

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.

Computed Properties

Molecular Weight:352.9
XLogP3:5.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:352.1342410
Monoisotopic Mass:352.1342410
Topological Polar Surface Area:33.2
Heavy Atom Count:25
Complexity:457
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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PK 11195

CAS No.: 85532-75-8

Content: 99%

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

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide

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