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Details

Stereochemistry ACHIRAL
Molecular Formula C16H8N2O6S4.2Na
Molecular Weight 498.484
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM 4,4'-DIISOTHIOCYANATO-2,2'-STILBENEDISULFONATE, (E)-

SMILES

[Na+].[Na+].[O-]S(=O)(=O)C1=C(C=CC(=C1)N=C=S)\C=C\C2=C(C=C(C=C2)N=C=S)S([O-])(=O)=O

InChI

InChIKey=GEPAYBXVXXBSKP-SEPHDYHBSA-L
InChI=1S/C16H10N2O6S4.2Na/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24;;/h1-8H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2/b2-1+;;

HIDE SMILES / InChI

Molecular Formula C16H8N2O6S4
Molecular Weight 452.505
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 3
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
1.0 µM [IC50]
2.0 µM [Ki]
Target ID: P51798
Gene ID: 1186.0
Gene Symbol: CLCN7
Target Organism: Homo sapiens (Human)
39.0 µM [IC50]
PubMed

PubMed

TitleDatePubMed
Lysine 539 of human band 3 is not essential for ion transport or inhibition by stilbene disulfonates.
1989 Nov 25
Antiviral immunotoxins: antibody-mediated delivery of gelonin inhibits Pichinde virus replication in vitro.
1991 Feb
Stilbene disulfonic acids. CD4 antagonists that block human immunodeficiency virus type-1 growth at multiple stages of the virus life cycle.
1991 Jul 15
Inhibition of gp120-CD4 interaction and human immunodeficiency virus type 1 infection in vitro by pyridoxal 5'-phosphate.
1994 Oct
Chromium- and nickel-induced cytotoxicity in normal and transformed human keratinocytes: an investigation of pharmacological approaches to the prevention of Cr(VI)-induced cytotoxicity.
1996 Feb
Inhibition of sandfly fever Sicilian virus (Phlebovirus) replication in vitro by antiviral compounds.
1997 Sep-Oct
AE2 anion exchanger polypeptide is a homooligomer in pig gastric membranes: a chemical cross-linking study.
1999 Jun 29
Redox regulation of p53 during hypoxia.
2000 Aug 10
Functional comparison of the K+-Cl- cotransporters KCC1 and KCC4.
2000 Sep 29
Inhibitors of ATP-binding cassette transporters suppress interleukin-12 p40 production and major histocompatibility complex II up-regulation in macrophages.
2002 Apr
Tumour-specific activation of the sodium/iodide symporter gene under control of the glucose transporter gene 1 promoter (GTI-1.3).
2003 May
Effects of a new cystic fibrosis transmembrane conductance regulator inhibitor on Cl- conductance in human sweat ducts.
2004 Jul
ATP binding cassette transporter ABC1 is required for the release of interleukin-1beta by P2X7-stimulated and lipopolysaccharide-primed mouse Schwann cells.
2005 Mar
Ionic currents in multidrug resistant K562 human leukemic cells.
2005 Sep
Absorption of folate by Caco-2 cells is not affected by high glucose concentration.
2006 Dec 3
Chronic high glucose inhibits albumin reabsorption by lysosomal alkalinization in cultured porcine proximal tubular epithelial cells (LLC-PK1).
2006 Jun
Anion exchanger 2 mediates the action of arsenic trioxide.
2006 Sep
Appearance of segmental discrepancy of anion transport in rat distal colon.
2007 Aug
Functional characterization of human proton-coupled folate transporter/heme carrier protein 1 heterologously expressed in mammalian cells as a folate transporter.
2007 Aug
Cloning and functional characterization of a folate transporter from the nematode Caenorhabditis elegans.
2007 Aug
Activity and regulation of Na+-HCO3- cotransporter in immortalized spontaneously hypertensive rat and Wistar-Kyoto rat proximal tubular epithelial cells.
2007 May
Functional ion channels in mouse bone marrow mesenchymal stem cells.
2007 Nov
The volume-sensitive chloride channel inhibitors prevent both contractile dysfunction and apoptosis induced by doxorubicin through PI3kinase, Akt and Erk 1/2.
2008 Jan
Pharmacologic blockade of chloride channel synergistically enhances apoptosis of chemotherapeutic drug-resistant cancer stem cells.
2008 Sep 5
Pharmacological characterization of pannexin-1 currents expressed in mammalian cells.
2009 Feb
Oligomerization of the mitochondrial protein voltage-dependent anion channel is coupled to the induction of apoptosis.
2010 Dec
Cell volume decrease as a link between azaspiracid-induced cytotoxicity and c-Jun-N-terminal kinase activation in cultured neurons.
2010 Jan
Attenuating homologous recombination stimulates an AID-induced antileukemic effect.
2013 May 6
Functional swapping between transmembrane proteins TMEM16A and TMEM16F.
2014 Mar 14
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 13:05:39 GMT 2023
Edited
by admin
on Sat Dec 16 13:05:39 GMT 2023
Record UNII
1VFRQ7416A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISODIUM 4,4'-DIISOTHIOCYANATO-2,2'-STILBENEDISULFONATE, (E)-
Systematic Name English
MDL-101114ZA
Code English
4,4'-DIISOTHIOCYANATO-2.2'-STILBENEDISULFONIC ACID DISODIUM SALT
Common Name English
2,2'-(1,2-ETHENEDIYL)BIS(5-ISOTHIOCYANATO-, SODIUM SALT (1:2), BENZENESULFONIC ACID
Systematic Name English
NSC-344481
Code English
2,2'-(1,2-ETHENEDIYL)BIS(5-ISOTHIOCYANATO-, DISODIUM SALT, BENZENESULFONIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
5702690
Created by admin on Sat Dec 16 13:05:39 GMT 2023 , Edited by admin on Sat Dec 16 13:05:39 GMT 2023
PRIMARY
FDA UNII
1VFRQ7416A
Created by admin on Sat Dec 16 13:05:39 GMT 2023 , Edited by admin on Sat Dec 16 13:05:39 GMT 2023
PRIMARY
CAS
132132-49-1
Created by admin on Sat Dec 16 13:05:39 GMT 2023 , Edited by admin on Sat Dec 16 13:05:39 GMT 2023
PRIMARY
CAS
67483-13-0
Created by admin on Sat Dec 16 13:05:39 GMT 2023 , Edited by admin on Sat Dec 16 13:05:39 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
NSC
344481
Created by admin on Sat Dec 16 13:05:39 GMT 2023 , Edited by admin on Sat Dec 16 13:05:39 GMT 2023
PRIMARY