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898562-94-2

898562-94-2

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898562-94-2 Usage

General Description

Quinoline, 2-[[4-[1-methyl-4-(4-pyridinyl)-1H-pyrazol-3-yl]phenoxy]methyl]- is a chemical compound with a complex structure containing a quinoline ring, a pyrazole ring, and a phenoxy group. It is a derivative of quinoline and has a molecular formula C26H20N4O. Quinoline, 2-[[4-[1-methyl-4-(4-pyridinyl)-1H-pyrazol-3-yl]phenoxy]methyl]- has potential pharmaceutical applications and may be used for its biological activity. Its specific properties and potential uses would require further analysis and study.

Check Digit Verification of cas no

The CAS Registry Mumber 898562-94-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,9,8,5,6 and 2 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 898562-94:
(8*8)+(7*9)+(6*8)+(5*5)+(4*6)+(3*2)+(2*9)+(1*4)=252
252 % 10 = 2
So 898562-94-2 is a valid CAS Registry Number.
InChI:InChI=1/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3

898562-94-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Quinoline, 2-[[4-[1-methyl-4-(4-pyridinyl)-1H-pyrazol-3-yl]phenoxy]methyl]-

1.2 Other means of identification

Product number -
Other names MP 10

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:898562-94-2 SDS

898562-94-2Synthetic route

2-((4-(4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline
871507-11-8

2-((4-(4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

methylhydrazine
60-34-4

methylhydrazine

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
898562-94-2

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline

Conditions
ConditionsYield
With sulfuric acid In ethanol at 20℃; for 1h;56%
3-(dimethylamino)-2-(pyridin-4-yl)-1-(4-(quinolin-2-ylmethoxy)phenyl)prop-2-en-1-one
871507-16-3

3-(dimethylamino)-2-(pyridin-4-yl)-1-(4-(quinolin-2-ylmethoxy)phenyl)prop-2-en-1-one

methylhydrazine
60-34-4

methylhydrazine

A

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
898562-94-2

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline

B

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

Conditions
ConditionsYield
With sulfuric acid In ethanol at 20℃; for 1h; Inert atmosphere;A 56%
B 17%
2-((4-(4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline
871507-11-8

2-((4-(4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

methylhydrazine
60-34-4

methylhydrazine

A

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
898562-94-2

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline

B

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

Conditions
ConditionsYield
With sulfuric acid In ethanol for 1h; Reflux;A 51%
B 23%
2-Chloromethylquinoline
4377-41-7

2-Chloromethylquinoline

A

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
898562-94-2

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline

B

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

Conditions
ConditionsYield
Multi-step reaction with 8 steps
1.1: potassium carbonate / acetone / 22 h / 60 °C / Inert atmosphere
2.1: water; sodium hydroxide / tetrahydrofuran; methanol; dichloromethane / 20 °C
3.1: thionyl chloride / chloroform / Inert atmosphere
4.1: triethylamine / dichloromethane
5.1: lithium diisopropyl amide / tetrahydrofuran / Cooling with ice
5.2: -78 °C
6.1: 1 h / Reflux
7.1: hydrazine hydrate / methanol / 1 h / Reflux
8.1: sulfuric acid / ethanol / 1 h / Reflux
View Scheme
N-methoxy-N-methyl-4-(quinolin-2-ylmethoxy)-benzamide
871507-14-1

N-methoxy-N-methyl-4-(quinolin-2-ylmethoxy)-benzamide

A

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
898562-94-2

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline

B

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: lithium diisopropyl amide / tetrahydrofuran / Cooling with ice
1.2: -78 °C
2.1: 1 h / Reflux
3.1: hydrazine hydrate / methanol / 1 h / Reflux
4.1: sulfuric acid / ethanol / 1 h / Reflux
View Scheme
2-(pyridin-4-yl)-1-(4-(quinolin-2-ylmethoxy)phenyl)ethanone
871507-15-2

2-(pyridin-4-yl)-1-(4-(quinolin-2-ylmethoxy)phenyl)ethanone

A

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
898562-94-2

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline

B

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 1 h / Reflux
2: hydrazine hydrate / methanol / 1 h / Reflux
3: sulfuric acid / ethanol / 1 h / Reflux
View Scheme
4-(quinolin-2-ylmethyloxy)benzoic acid
123724-16-3

4-(quinolin-2-ylmethyloxy)benzoic acid

A

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
898562-94-2

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline

B

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: thionyl chloride / chloroform / Inert atmosphere
2.1: triethylamine / dichloromethane
3.1: lithium diisopropyl amide / tetrahydrofuran / Cooling with ice
3.2: -78 °C
4.1: 1 h / Reflux
5.1: hydrazine hydrate / methanol / 1 h / Reflux
6.1: sulfuric acid / ethanol / 1 h / Reflux
View Scheme
4-(2-Quinolinylmethoxy)benzoic acid methyl ester
137426-86-9

4-(2-Quinolinylmethoxy)benzoic acid methyl ester

A

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
898562-94-2

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline

B

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1.1: water; sodium hydroxide / tetrahydrofuran; methanol; dichloromethane / 20 °C
2.1: thionyl chloride / chloroform / Inert atmosphere
3.1: triethylamine / dichloromethane
4.1: lithium diisopropyl amide / tetrahydrofuran / Cooling with ice
4.2: -78 °C
5.1: 1 h / Reflux
6.1: hydrazine hydrate / methanol / 1 h / Reflux
7.1: sulfuric acid / ethanol / 1 h / Reflux
View Scheme
4-(quinolin-2-ylmethyloxy)benzoyl chloride
134138-88-8

4-(quinolin-2-ylmethyloxy)benzoyl chloride

A

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
898562-94-2

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline

B

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: triethylamine / dichloromethane
2.1: lithium diisopropyl amide / tetrahydrofuran / Cooling with ice
2.2: -78 °C
3.1: 1 h / Reflux
4.1: hydrazine hydrate / methanol / 1 h / Reflux
5.1: sulfuric acid / ethanol / 1 h / Reflux
View Scheme
methyl 4-hydroxylbenzoate
99-76-3

methyl 4-hydroxylbenzoate

A

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
898562-94-2

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline

B

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-5-yl)phenoxy)methyl)quinoline

Conditions
ConditionsYield
Multi-step reaction with 8 steps
1.1: potassium carbonate / acetone / 22 h / 60 °C / Inert atmosphere
2.1: water; sodium hydroxide / tetrahydrofuran; methanol; dichloromethane / 20 °C
3.1: thionyl chloride / chloroform / Inert atmosphere
4.1: triethylamine / dichloromethane
5.1: lithium diisopropyl amide / tetrahydrofuran / Cooling with ice
5.2: -78 °C
6.1: 1 h / Reflux
7.1: hydrazine hydrate / methanol / 1 h / Reflux
8.1: sulfuric acid / ethanol / 1 h / Reflux
View Scheme
2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
898562-94-2

2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline

succinic acid
110-15-6

succinic acid

MP-10 succinate
1037309-45-7

MP-10 succinate

Conditions
ConditionsYield
In ethyl acetate at 25℃; for 12h;
In ethyl acetate Inert atmosphere;

898562-94-2Downstream Products

898562-94-2Relevant articles and documents

METHODS FOR TREATING DISEASES OF THE RETINA

-

, (2012/09/05)

Disclosed herein is a method of treating disorders of the retina comprising administering to a patient in need of such treatment a therapeutically effective amount of a compound of Formula I as defined herein. These compounds are useful as PDE10 inhibitors.

Discovery of a novel class of phosphodiesterase 10A inhibitors and identification of clinical candidate 2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3- yl)-phenoxymethyl]-quinoline (PF-2545920) for the treatment of schizophrenia

Verhoest, Patrick R.,Chapin, Douglas S.,Corman, Michael,Fonseca, Kari,Harms, John F.,Hou, Xinjun,Marr, Eric S.,Menniti, Frank S.,Nelson, Frederick,O'Connor, Rebecca,Pandit, Jayvardhan,Proulx-LaFrance, Caroline,Schmidt, Anne W.,Schmidt, Christopher J.,Suiciak, Judith A.,Liras, Spiros

experimental part, p. 5188 - 5196 (2010/03/01)

By utilizing structure-based drug design (SBDD) knowledge, a novel class of phosphodiesterase (PDE) 10A inhibitors was identified. The structure-based drug design efforts identified a unique "selectivity pocket" for PDE10A inhibitors, and interactions within this pocket allowed the design of highly selective and potent PDE10A inhibitors. Further optimization of brain penetration and drug-like properties led to the discovery of 2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920). This PDE10A inhibitor is the first reported clinical entry for this mechanism in the treatment of schizophrenia.

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