GALLEIN DISODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H8O7.2Na.2H
Molecular Weight	408.2687
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H+].[H+].[Na+].[Na+].[O-]C1=C([O-])C2=C(C=C1)C3(OC(=O)C4=C3C=CC=C4)C5=C(O2)C([O-])=C([O-])C=C5

InChI

InChIKey=HZGDJXSSMWWQMB-UHFFFAOYSA-L

InChI=1S/C20H12O7.2Na/c21-13-7-5-11-17(15(13)23)26-18-12(6-8-14(22)16(18)24)20(11)10-4-2-1-3-9(10)19(25)27-20;;/h1-8,21-24H;;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
Count

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

Molecular Formula	C20H8O7
Molecular Weight	360.2733
Charge	-4
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18006643 | https://www.ncbi.nlm.nih.gov/pubmed/4142135 | https://www.ncbi.nlm.nih.gov/pubmed/18006643 | http://www.fasebj.org/content/29/1_Supplement/618.4 | https://www.ncbi.nlm.nih.gov/pubmed/22552300 | https://www.ncbi.nlm.nih.gov/pubmed/29084601

Gallein is an inhibitor of G protein beta gamma subunit signaling. It exerts antineoplastic action in vitro and anti-inflammatory action in vivo. Gallein may be used in histological staining.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
G-protein beta/gamma-subunit complex 2 Target ID: GO:0031680 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18006643	Inhibitor 8297		422.0 nM [Kd]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Inflammation 102 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18006643 http://www.fasebj.org/content/29/1_Supplement/618.4	Primary		Preclinical	Unknown Approved Use Unknown
Cancer 592 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22552300 https://www.ncbi.nlm.nih.gov/pubmed/29084601	Primary		Basic research	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Hematoxylin substitutes: gallein as a biological stain.	1974 Nov	4142135
Staining myelin in brain with gallein: a new method.	1977 Sep	73233
Specificity in structure-based drug design: identification of a novel, selective inhibitor of Pneumocystis carinii dihydrofolate reductase.	1997 Sep	9294866
Identification of HIV-1 nucleocapsid protein: nucleic acid antagonists with cellular anti-HIV activity.	2002 Sep 6	12207905

Sample Use Guides

In Vivo Use Guide

Oral administration of gallein (30 mg/kg) inhibited paw edema and neutrophil infiltration in a mouse carrageenan-induced paw edema model.

Route of Administration: Oral

In Vitro Use Guide

Gallein 10 uM was able to significantly counteract this β-ionone-induced LNCaP cell invasiveness.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:06:12 GMT 2023` Edited by `admin` on `Sat Dec 16 10:06:12 GMT 2023`
Record UNII	Q2R7R20NU0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GALLEIN DISODIUM

Common Name

English

GALLEIN DISODIUM SALT

Common Name

English

GALLEIN DISODIUM SALT [MI]

Common Name

English

SPIRO(ISOBENZOFURAN-1(3H),9'-(9H)XANTHEN)-3-ONE, 3',4',5',6'-TETRAHYDROXY-, SODIUM SALT (1:2)

Systematic Name

English

ALIZARIN VIOLET

Common Name

English

Code System Code Type Description

CHEBI

88294