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

3D Mol Similar

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

: Iupac Name：2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline; CAS No.: 898562-94-2; Molecular Weight：392.5; Modify Date.: 2022-11-25 01:21; Introduction:
PF-2545920 is a potent and selective PDE10A inhibitor with IC50 of 0.37 nM, with >1000-fold selectivity over the PDE. IC50 value: 0.37 nM [1]Target: PDE10APDE10A subcutaneously administrated at dose of 1 mg/kg elevates striatal cGMP about 3 fold in male CD-1 mice, while PDE10A subcutaneously administrated at dose of 3.2 mg/kg displays a maximal elevation of striatal cGMP approximately a 5-fold increase in male CD-1 mice. PDE10A intravenous injected at a dose of 0.1 mg/kg in Sprague-Dawle
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1. Names and Identifiers

: 1.1 Name; Quinoline, 2-[[4-[1-methyl-4-(4-pyridinyl)-1H-pyrazol-3-yl]phenoxy]methyl]-; 1.2 Synonyms; 2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenoxy)methyl)quinoline trihydrochloride 2-({4-[1-Methyl-4-(4-pyridinyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline 2-({4-[1-Methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)chinolin 2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline 2-[(4-(1-Methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenoxy)methyl]quinoline 2-{4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxymethyl}quinoline 2-{4-[1-methyl-4-(pyridin-4-yl)pyrazol-3-yl]phenoxymethyl}quinoline EOS-61169 MP 10 MP 10, MARDEPODECT MP10 MP-10 PF 2545920 PF2545920 PF-2545920 UNII:R9Y8EY0G42; View all

1.3 CAS No.: 898562-94-2

1.4 CID: 11581936

1.5 Molecular Formula: C25H20N4O (isomer)

1.6 Inchi: InChI=1S/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

1.7 InChIkey: AZEXWHKOMMASPA-UHFFFAOYSA-N

1.8 Canonical Smiles: CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5

1.9 Isomers Smiles: CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5

2. Properties

2.1 Density: 1.216

2.1 Boiling point: 568.569°C at 760 mmHg

2.1 Refractive index: 1.661

2.1 Flash Point: 297.66°C

2.1 Precise Quality: 392.16400

2.1 PSA: 52.83000

2.1 logP: 5.27630

2.1 pKa: 4.32±0.10(Predicted)

3. Synthesis Route

898562-94-2Total: 1 Synthesis Route

871507-11-8 1 Suppliers

60-34-4

898562-94-2 15 Suppliers

Literatures:
Pfizer Inc Patent: US2006/154931 A1, 2006 ; Location in patent: Page/Page column 24-25 ;
Yield: ~57%

4. Precursor and Product

precursor:

871507-11-8

product :

1037309-45-7

5. Other Information

5.0 Mesh Entry Terms: ((11)C)MP-10

6. Computational chemical data

Molecular Weight: 392.5g/mol
Molecular Formula: C₂₅H₂₀N₄O
Compound Is Canonicalized: True
XLogP3-AA: 4.2
Exact Mass: 392.16371127
Monoisotopic Mass: 392.16371127
Complexity: 531
Rotatable Bond Count: 5
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 52.8
Heavy Atom Count: 30
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAACx/gAAHgAIAAAADAzhngY+xvIIFACiAzRnRASSjCAxoiAY2CA+bJgOJuLE8duHvCjkyBHY6AeQ0PEOoAAAAAACAABAAAAAAAQAAAAAAAAAAA==

7. Recommended Suppliers

Global15SuppliersView all >>

Nanjing Sunsure Chemical Technology Co., Ltd Audited Suppliers

Tel:+86-025-58535435

PF-2545920 898562-94-2 supplier

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/02/25

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Skyrun Industrial CO.,LTD Audited Suppliers

Products:Organic compounds ,Active Pharmaceutical Ingredient(s) ,Nutritional products ,Custom synthesis
Tel:0086-571-86722205

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

Purity:99%Packing: 200kg/bag FOB
Price: 10 USD/kilogram
Time: 2019/07/22

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Shanghai Forever Synthesis Co.,Ltd. Audited Suppliers

Products:Shanghai Forever Synthesis Co.,Ltd. is a professional chemical supplier for API, intermediates, fine chemicals, and customized synthesis.
Tel:86-21-61124658

PF-2545920

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/06/12

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Nanjing Norris-Pharm Technology Co., Ltd. Audited Suppliers

Products:focus in pharmaceutical R & D outsourcing service .we provides chemical synthesis outsourcing services for new drug research and development projects for international pharmaceutical companies
Tel:86-25-66112885

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

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2023/09/25

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Hangzhou J&H Chemical Co., Ltd Audited Suppliers

Products:3,5-Dibromoanisole,5-Fluoro-2-nitroanisole,Doxorubicin hydrochloride,Diethyl 4-oxoheptanedioate,1,5-Diphenylpenta-1,4-dien-3-one,3,5-Dimethoxy-4-hydroxycinnamic acid
Tel:86-571-87396430

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

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2017/12/14

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8. Realated Product Infomation

1037309-45-7 Quinoline, 2-[[4-[1-Methyl-4-(4-pyridinyl)-1H-pyrazol-3-yl]phenoxy]Methyl]- ,succinate salt

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

607737-87-1 4-[3-(6-METHYL-2-PYRIDINYL)-1H-PYRAZOL-4-YL]-QUINOLINE

937605-18-0 2-methyl-8-[2-nitro-4-(trifluoromethyl)phenoxy]quinoline

502654-20-8 2-((4-(1H-Pyrazol-5-yl)phenoxy)methyl)pyridine

956371-98-5 2-[(5-Methyl-1H-pyrazol-1-yl)methyl]quinoline-4-carboxylic acid

1005633-34-0 2-[(3-Methyl-1H-pyrazol-1-yl)methyl]quinoline-4-carboxylic acid

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