Molecular Details

DICL_CP_0380609 - 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0380609

PubChem CID

64965

Molecular Formula

C₁₈H₁₆BrN₅S

Molecular Weight

414.332 g/mol

Synonyms/Alias

[Thiazolyl blue; 298-93-1; Thiazolyl blue tetrazolium bromide; MTT; MMT Tetrazolium; Methylthiazoletetrazolium; Thiazolyl Blue Monotetrazolium; 2348-71-2; 3-(4;5-Dimethylthiazol-2-yl)-2;5-diphenyltetr...[Thiazolyl blue; 298-93-1; Thiazolyl blue tetrazolium bromide; MTT; MMT Tetrazolium; Methylthiazoletetrazolium; Thiazolyl Blue Monotetrazolium; 2348-71-2; 3-(4;5-Dimethylthiazol-2-yl)-2;5-diphenyltetrazolium bromide; 3-(4;5-Dimethylthiazolyl)-2;5-diphenyltetrazolium bromide; 3-(4;5-Dimethylthiazolyl-2)-2;5-diphenyltetrazolium bromide; Methylthialazole Tetrazolium; 3-(4;5-Dimethyl-2-thiazolyl)-2;5-diphenyl-2H-tetrazolium Bromide; EUY85H477I; 2H-Tetrazolium; 2-(4;5-dimethyl-2-thiazolyl)-3;5-diphenyl-; bromide; 3-(4;5-dimethyl-1;3-thiazol-2-yl)-2;5-diphenyl-2H-tetrazol-3-ium bromide; MFCD00011964; NSC-60102; NSC-367079; 3-(4;5-dimethylthiazole-2-yl)-2;5-diphenyltetrazolium bromide; 2-(4;5-Dimethyl-2-thiazolyl)-3;5-diphenyl-2H-tetrazol-3-ium Bromide; 3-(4;5-Dimethylthiazol-2-yl)-2;5-diphenyl-2;3-dihydro-1H-tetrazol-3-ium bromide; 2-(4;5-Dimethylthiazol-2-yl)-3;5-diphenyl-2H-tetrazol-3-ium bromide; 2-(4;5-dimethyl-1;3-thiazol-2-yl)-3;5-diphenyl-2H-tetrazol-3-ium bromide; 2H-Tetrazolium; 2-(4;5-dimethyl-2-thiazolyl)-3;5-diphenyl-; bromide (1:1); MTT (VAN); MTT;Thiazolyl Blue Tetrazolium (bromide);Methylthiazolyldiphenyl-tetrazolium (bromide); HSDB 7300; EINECS 206-069-5; Thiazolyl Blue Monotetrazolium (VAN); NSC 367079; C18H16BrN5S; UNII-EUY85H477I; CIL 102; methyl thiazole tetrazolium; SCHEMBL8812; C18H16N5SBr; THIAZOLYL BLUE [HSDB]; MTT [for Biochemical Research]; CHEBI:53233; DTXSID60889338; 3-(4;5-Dimethyl-2-thiazolyl)-2;5-diphenyltetrazolium Bromide; NSC60102; 3-(4;5-diphenyltetrazolium bromide; 2H-Tetrazolium; 3-(4;5-dimethylthiazol-2-yl)-2;5-diphenyl-; bromide; HB5283; MFCD00066662; NSC367079; AKOS024283987; AKOS024370870; AM84908; GS-3417; MTT - CAS 298-93-1; s10382; HY-15924; SY036876; Thiazolyl Blue Tetrazolium Bromide; 98%; DB-047669; D0801; M3297; T-3450; J-610026; Q27124034; 2H-Tetrazolium;5-dimethyl-2-thiazolyl)-2;5-diphenyl-; bromide; 2H-Tetrazolium;5-dimethyl-2-thiazolyl)-3;5-diphenyl-; bromide; 3-[4;5-dimethyl-2-thiazolyl]-2;5-diphenyl-2-tetrazolium bromide; Thiazolyl Blue Tetrazolium Bromide; Vetec(TM) reagent grade; 98%; 2-(3;5-diphenyltetrazol-2-ium-2-yl)-4;5-dimethyl-1;3-thiazole;bromide; 3-(4;5-dimethylthiazol-2-yl)-2;5-diphenyl-2H-tetrazol-3-ium bromide; 3-(4;5-dimethyl-1;3-thiazol-2-yl)-2;5-diphenyl-1;2??;3;4-tetrazol-2-ylium bromide; Thiazolyl Blue;Thiazolyl Blue Tetrazolium Bromide;Methylthiazolyldiphenyl-tetrazolium bromide; 2-(4;5-Dimethyl-1;3-Thiazol-2-yl)-3;5-Diphenyl-1;3;4-Triaza-2-Azoniacyclopenta-1;4-Diene Bromide; 2-(4;5-dimethyl-1;3-thiazol-2-yl)-3;5-diphenyl-3H-1;2lambda5;3;4-tetrazol-2-ylium bromide; Thiazolyl Blue Tetrazolium Bromide; powder; BioReagent; suitable for cell culture; suitable for insect cell culture; >=97.5% (HPLC)]

InChI Key

AZKSAVLVSZKNRD-UHFFFAOYSA-M

InChI

InChI=1S/C18H16N5S.BrH/c1-13-14(2)24-18(19-13)23-21-17(15-9-5-3-6-10-15)20-22(23)16-11-7-4-8-12-16;/...

IUPAC Name

2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide

CAS Number

298-93-1

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

41 43 0 0 0 0 0 0 0 0999 V2000
-4.0206 -2.9084 -0.8947 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2225 -1.8028 -0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7460 -0.883...

Download SDF File (3532 bytes)

Experimental Data

Activity Data

Target Ion Channel

Aquaporin-3

Uniprot Accession Number

Q92482

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 370 (μg/mL)

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

Not mention

Holding Potential

Not specified

Temperature

Not mention

Test Method

Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay

Test Species

Not specified

Binding Information

Binding Site

Transmembrane domain

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.3390/antiox10091373

URL

N/A (Not available)

PMID

34573004

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

0.2883

Complexity

93.473

TPSA (Å²)

47.48

H-Bond Donors

H-Bond Acceptors

Ring Count

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