DPA-714

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H27FN4O2
Molecular Weight	398.4738
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DPA-714

Structure Search

SMILES

CCN(CC)C(=O)CC1=C2N=C(C)C=C(C)N2N=C1C3=CC=C(OCCF)C=C3

InChI

InChIKey=FLZZFWBNYJNHMY-UHFFFAOYSA-N

InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C22H27FN4O2
Molecular Weight	398.4738
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:15:18 UTC 2023` Edited by `admin` on `Sat Dec 16 10:15:18 UTC 2023`
Record UNII	Y1H4D2VKZD
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DPA-714

Common Name

English

PYRAZOLO(1,5-A)PYRIMIDINE-3-ACETAMIDE, N,N-DIETHYL-2-(4-(2-FLUOROETHOXY)PHENYL)-5,7-DIMETHYL-

Systematic Name

English

2-(2-(4-(2-FLUOROETHOXY)PHENYL)-5,7-DIMETHYLPYRAZOLO(1,5-A)PYRIMIDIN-3-YL)-N,N-DIETHYLACETAMIDE

Systematic Name

English

N,N-DIETHYL-2-(4-(2-FLUOROETHOXY)PHENYL)-5,7-DIMETHYLPYRAZOLO(1,5-A)PYRIMIDINE-3-ACETAMIDE

Systematic Name

English

J2.865.885K

Code

English

Code System Code Type Description

PUBCHEM

24895172

Created by admin on Sat Dec 16 10:15:18 UTC 2023 , Edited by admin on Sat Dec 16 10:15:18 UTC 2023

PRIMARY

FDA UNII

Y1H4D2VKZD

Created by admin on Sat Dec 16 10:15:18 UTC 2023 , Edited by admin on Sat Dec 16 10:15:18 UTC 2023

PRIMARY

EPA CompTox

DTXSID801121798

Created by admin on Sat Dec 16 10:15:18 UTC 2023 , Edited by admin on Sat Dec 16 10:15:18 UTC 2023

PRIMARY

WIKIPEDIA

DPA-714

Created by admin on Sat Dec 16 10:15:18 UTC 2023 , Edited by admin on Sat Dec 16 10:15:18 UTC 2023

PRIMARY

CAS

958233-07-3

Created by admin on Sat Dec 16 10:15:18 UTC 2023 , Edited by admin on Sat Dec 16 10:15:18 UTC 2023

PRIMARY

Related Record Type Details


					4U7WR2K3GX

TRANSLOCATOR PROTEIN

TARGET->LIGAND

Interaction Type:

BINDING

Qualification:

Ki

Amount:


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR

Related Record Type Details


					EC8CV1DVQ4

6-HYDROXY DPA-714

METABOLITE -> PARENT

Comments:

IN VITRO


					B5VBJ46SAH

DEETHYL DPA-714

METABOLITE -> PARENT

Comments:

IN VITRO


					LHA4V5X6TC

N-ETHYL-2-(4-(2-FLUOROETHOXY)PHENYL)-5-(HYDROXYMETHYL)-7-METHYLPYRAZOLO(1,5-A)PYRIMIDINE-3-ACETAMIDE

METABOLITE -> PARENT

Comments:

IN VITRO


					19B0IPR8JA

DI(DEMETHYL)-DI(HYDROXYMETHYL)DPA-714

METABOLITE -> PARENT

Comments:

IN VITRO


					VLI0OF16IQ

DESMETHYL-DPA-713

METABOLITE -> PARENT

Comments:

IN VITRO