DISODIUM 4,4'-DIISOTHIOCYANATO-2,2'-STILBENEDISULFONATE, (E)-

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)-

Structure Search

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

Primary Target	Pharmacology	Potency
P2X purinoceptor 3 9 Target ID: CHEMBL2998 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12213051	Inhibitor 8297	1.0 µM [IC50]
chloride transport 5 Target ID: GO:0006821 Sources: https://www.ncbi.nlm.nih.gov/pubmed/3783658	Inhibitor 8297	2.0 µM [Ki]
H(+)/Cl(-) exchange transporter 7 4 Target ID: P51798 Gene ID: 1186.0 Gene Symbol: CLCN7 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/20830208	Inhibitor 8297	39.0 µM [IC50]

PubMed

Title	Date	PubMed
Effects of a new cystic fibrosis transmembrane conductance regulator inhibitor on Cl- conductance in human sweat ducts.	2004 Jul	15131065
Molecular determinants of differential pore blocking of kidney CLC-K chloride channels.	2004 Jun	15167890
Absorption of folate by Caco-2 cells is not affected by high glucose concentration.	2006 Dec 3	17034785
Anion exchanger 2 mediates the action of arsenic trioxide.	2006 Sep	17018029
Functional characterization of human proton-coupled folate transporter/heme carrier protein 1 heterologously expressed in mammalian cells as a folate transporter.	2007 Aug	17475902
Cloning and functional characterization of a folate transporter from the nematode Caenorhabditis elegans.	2007 Aug	17475669
Activity and regulation of Na+-HCO3- cotransporter in immortalized spontaneously hypertensive rat and Wistar-Kyoto rat proximal tubular epithelial cells.	2007 May	17325238

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

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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