TPA-023B

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H15F2N5O
Molecular Weight	391.3735
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CC(C)(O)C1=NC2=NC=C(N2N=C1)C3=CC(=C(F)C=C3)C4=C(C=CC=C4F)C#N

InChI

InChIKey=PCZLQMGFNUNVOM-UHFFFAOYSA-N

InChI=1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C21H15F2N5O
Molecular Weight	391.3735
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

Substance Class	Chemical
Record UNII	GMY695BP6Q
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

TPA 023B

Preferred Name

English

TPA-023B

Code

English

3-FLUORO-2-(2-FLUORO-5-(3-(1-HYDROXY-1-METHYL-ETHYL)IMIDAZO(1,2-B)(1,2,4)TRIAZIN-7-YL)PHENYL)BENZONITRILE

Systematic Name

English

(1,1'-BIPHENYL)-2-CARBONITRILE, 2',6-DIFLUORO-5'-(3-(1-HYDROXY-1-METHYLETHYL)IMIDAZO(1,2-B)(1,2,4)TRIAZIN-7-YL)-

Systematic Name

English

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Code System

Code

Type

Description

FDA UNII

GMY695BP6Q

PRIMARY

CAS

425377-76-0

PRIMARY

PUBCHEM

9865233

PRIMARY

SMS_ID

300000037341

PRIMARY

MANUFACTURER PRODUCT INFORMATION

TPA-023B

PRIMARY

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Related Record

Type

Details


					1Y63BQU0QT

GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-3

TARGET->PARTIAL AGONIST

Interaction Type:

BINDING

Qualification:

Ki

Amount:

1.8 NANOMOLAR [1.4 to 2.2] (average)


					FUG1HPD3DP

GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1

TARGET -> INHIBITOR

Interaction Type:

BINDING

Qualification:

Ki

Amount:


					XPQ6KF8TL3

TPA-023B phosphate

SALT/SOLVATE -> PARENT

Amount:


					91M0H2F1QL

GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-2

TARGET->PARTIAL AGONIST

Interaction Type:

BINDING

Qualification:

Ki

Amount:

2 NANOMOLAR [1.6 to 2.4] (average)

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Related Record

Type

Details


					GMY695BP6Q

TPA-023B

ACTIVE MOIETY

Comments:

In the TPA023-1.0-mg/kg-trained group, four to six rats showed full generalization to TPA023B at 0.32 to 32 mg/kg. The ED50 value was 0.206 mg/kg. Response rates were not strongly affected by TPA023B in any of the three training groups. The highest TPA023B dose tested was determined by solubility limits of TPA023B in relation to the maximal volume of injection preferred (i.e., 2 ml/kg i.p.).

Amount:

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