Molecular Details

DICL_CP_0396000 - 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0396000

PubChem CID

3372

Molecular Formula

C₂₂H₂₆F₃N₃OS

Molecular Weight

437.531 g/mol

Synonyms/Alias

[FLUPHENAZINE; 69-23-8; Triflumethazine; Fluorophenazine; Fluorphenazine; Fluorfenazine; Siqualon; Elinol; Phthorphenazine; Ftorphenazine; Siqualine; Vespazine; Pacinol; Sevinol; Prolixin; Fluphenazin...[FLUPHENAZINE; 69-23-8; Triflumethazine; Fluorophenazine; Fluorphenazine; Fluorfenazine; Siqualon; Elinol; Phthorphenazine; Ftorphenazine; Siqualine; Vespazine; Pacinol; Sevinol; Prolixin; Fluphenazinum; Flufenazina; Fluphenazine free base; SQ 4918; 2-(4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethanol; 10-(3-(2-Hydroxyethyl)piperazinopropyl)-2-(trifluoromethyl)phenothiazine; 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol; 4-(3-(2-Trifluoromethyl-10-phenothiazyl)-propyl)-1-piperazineethanol; Moditen; Fluphenazine (INN); 4-(3-(-Trifluoromethyl-10-phenothiazyl)-propyl)-1-piperazineethanol; 1-(2-Hydroxyethyl)-4-(3-(trifluoromethyl-10-phenothiazinyl)propyl)-piperazine; 1-Piperazineethanol; 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-; 4-(3-(2-(Trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-1-piperazineethanol; S94; 69-23-8 (free base); 10-(3-(4-(beta-Hydroxyethyl)-1-piperazinyl)-propyl)-3-trifluoromethylphenothiazine; CHEBI:5123; DTXSID2023068; NSC 62323; Calmansial; 1-(2-Hydroxyethyl)-4-[3-(trifluoromethyl-10-phenothiazinyl)propyl]piperazine; NSC-62323; Phenothiazine; 10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2-(trifluoromethyl)-; S79426A41Z; NCGC00015436-07; Flufenazina [DCIT]; Yespazine; 4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-1-Piperazineethanol; FLUPHENAZINE [INN]; 4-[3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1-piperazineethanol; 1-Piperazineethanol; 4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-; 2-(4-(3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl)-1-piperazinyl)ethanol; 2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethan-1-ol; 2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethanol; 2-(Trifluoromethyl)-10-(3-(1-(beta-hydroxyethyl)-4-piperazinyl)propyl)phenothiazine; Fluphenazine [INN:BAN]; Moditen (Tabl or elixir); Fluphenazinum [INN-Latin]; DTXCID303068; MLS001076508; 4-[3-(2-Trifluoromethyl-10-phenothiazyl)-propyl]-1-piperazineethanol; 1-Piperazineethanol; 4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-; CAS-69-23-8; Moditen (TN); NSC62323; HSDB 3334; EINECS 200-702-9; flufenazine; A 4077; 1-Piperazineethanol; 4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-; UNII-S79426A41Z; 10-(3\-(4-(beta-Hydroxyethyl)-1-piperazinyl)-propyl)-3-trifluoromethylphenothiazine; 2-(Trifluoromethyl)-10-(3-(1-(beta-hydroxyethyl)-4-pipe razinyl)propyl)phenothiazine; Permitil (Salt/Mix); Prolixin (Salt/Mix); Tensofin (Salt/Mix); Anatensol (Salt/Mix); Prolixine (Salt/Mix); Spectrum_000289; Prestwick0_000320; Prestwick1_000320; Prestwick2_000320; Prestwick3_000320; Spectrum2_001199; Spectrum3_001420; Spectrum4_000828; Spectrum5_001536; FLUPHENAZINE [MI]; Lopac-F-4765; ChemDiv1_024180; Biomol-NT_000023; CHEMBL726; Probes1_000254; Probes2_000295; FLUPHENAZINE [HSDB]; cid_3372; FLUPHENAZINE [VANDF]; BIDD:PXR0184; Lopac0_000555; SCHEMBL19221; BSPBio_000320; BSPBio_003100; FLUPHENAZINE [MART.]; GTPL204; KBioGR_001375; KBioGR_002386; KBioSS_000769; KBioSS_002391; DivK1c_000511; FLUPHENAZINE [WHO-DD]; SPBio_001277; SPBio_002539; BPBio1_000352; BPBio1_001187; BDBM78433; cid_6602611; HMS655L02; KBio1_000511; KBio2_000769; KBio2_002386; KBio2_003337; KBio2_004954; KBio2_005905; KBio2_007522; KBio3_002320; KBio3_002865; cMAP_000035; NINDS_000511; HMS2089C16; BCP21399; Tox21_110146; NSC755764; NSC755768; STK050763; AKOS001659031; Tox21_110146_1; CCG-204645; DB00623; NSC-755764; NSC-755768; SDCCGSBI-0050538.P004; 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol dihydrochloride; IDI1_000511; MRF-0000359; NCGC00015436-01; NCGC00015436-02; NCGC00015436-03; NCGC00015436-04; NCGC00015436-05; NCGC00015436-06; NCGC00015436-08; NCGC00015436-09; NCGC00015436-11; NCGC00015436-16; NCGC00024429-03; NCGC00024429-04; AS-76175; CAS-146-56-5; S 94; SQ 4;918; SBI-0050538.P003; Fluorfenazine pound (3/4)<<EnAa pound(c); HY-119980; AB00053587; CS-0078861; NS00005055; C07010; D07977; EN300-708785; Q58376; AB00053587-18; AB00053587_19; A836405; L000257; SR-01000003048-5; BRD-K55127134-001-01-7; BRD-K55127134-300-05-4; BRD-K55127134-300-07-0; FLUPHENAZINE DECANOATE IMPURITY B [EP IMPURITY]; FLUPHENAZINE ENANTATE IMPURITY B [EP IMPURITY]; FLUPHENAZINE ENANTHATE IMPURITY B [EP IMPURITY]; 2-(4-(3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl)-1-piperazinyl)ethanol #; 2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethanol; 2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethanol;hydrochloride; 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazino]ethanol;hydrochloride]

InChI Key

PLDUPXSUYLZYBN-UHFFFAOYSA-N

InChI

InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13...

IUPAC Name

2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol

CAS Number

69-23-8

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

30 33 0 0 0 0 0 0 0 0999 V2000
-3.4519 -3.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9058 -2.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3130 -1...

Download SDF File (2675 bytes)

Experimental Data

Activity Data

Target Ion Channel

Inositol 1-4-5-trisphosphate (InsP3) type 1

Uniprot Accession Number

Q14643

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 85000 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.2

Holding Potential

Not specified

Temperature

37 °C

Test Method

Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay

Test Species

pig cerebellum

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1016/s0898-6568(00)00140-6

URL

N/A (Not available)

PMID

11257448

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

4.3081

Complexity

113.5978

TPSA (Å²)

29.95

H-Bond Donors

H-Bond Acceptors

Ring Count

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