ENDOTHAL-DIAMMONIUM

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H8O5.2H4N
Molecular Weight	220.223
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[NH4+].[NH4+].[O-]C(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C([O-])=O

InChI

InChIKey=NJPDFPLPWOPSKC-PXYBLNDHSA-N

InChI=1S/C8H10O5.2H3N/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);2*1H3/t3-,4+,5-,6+;;

HIDE SMILES / InChI

Molecular Formula	C8H10O5
Molecular Weight	186.162
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H3N
Molecular Weight	17.0305
Charge	0
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/18566123 | https://www.epa.gov/sites/production/files/2015-06/documents/ny_hh_772_w_01021996.pdf

Endothal (also known as Endothall), a herbicide for terrestrial and aquatic plants, is a potent, selective protein phosphatase 2A (PP2A) inhibitor. It also inhibits protein phosphatase 1 (PP1). Endothall is considered safe in drinking water, but in case of consumption for a long period, it can cause stomach or intestinal problems.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform 7 Target ID: P67775 Gene ID: 5515.0 Gene Symbol: PPP2CA Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/18566123	Inhibitor 8297		90.0 nM [IC50]
Serine/threonine-protein phosphatase PP1-alpha catalytic subunit 7 Target ID: P62136 Gene ID: 5499.0 Gene Symbol: PPP1CA Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/18566123	Inhibitor 8297		5.0 µM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
Cantharidin analogues: synthesis and evaluation of growth inhibition in a panel of selected tumour cell lines.	2003 Feb	12697169
Sites of protein kinase A activation of the human ClC-2 Cl(-) channel.	2004 May 21	15010473
Retinoic acid induced repression of AP-1 activity is mediated by protein phosphatase 2A in ovarian carcinoma cells.	2005 Sep 1	16052510
The 1:1 cocrystal of rac-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxylic acid and 2-amino-benzothia-zole.	2008 Jul 9	21203157
1,3-Benzothia-zol-2-amine.	2009 Jul 18	21583584
Poly[bis-(1H-imidazole)(μ(3)-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato)cadmium(II)].	2009 Jun 17	21582710
Benzothia-zol-2-amine-3-meth-oxy-carbonyl-7-oxabicyclo-[2.2.1]hept-5-ene-2-carb-oxy-lic acid (1/1).	2010 Dec 18	21522700

Patents

Sample Use Guides

In Vivo Use Guide

acute toxicity on mouse liver: 75 mg/kg

Route of Administration: Intraperitoneal

In Vitro Use Guide

The effects of glutamate, 17β-estradiol, and various specific inhibitors of protein phosphatases on the activity of PP2A and calcineurin in primary cortical neurons were measured by simultaneously treating with glutamate, okadaic acid, 17β-estradiol, PPI2, endothall, and/or cyclosporin A. Glutamate, okadaic acid, and 9 μM endothall treatment caused decreases in PP2A activity, whereas PPI2 and cyclosporine A had no effect. The decreased PP2A activity mediated by glutamate was attenuated in the presence 17β-estradiol; however, 17β-estradiol was unable to block the okadaic acid or endothall-mediated decrease in PP2A activity. In fact, the presence of okadaic acid or endothall prevented the 17β-estradiol-mediated attenuation of the decreased PP2A activity caused by glutamate.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:48:34 GMT 2023` Edited by `admin` on `Sat Dec 16 08:48:34 GMT 2023`
Record UNII	KO6OII5EI3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ENDOTHAL-DIAMMONIUM

Common Name

English

ENDOTHAL-DIAMMONIUM [ISO]

Common Name

English

7-OXABICYCLO(2.2.1)HEPTANE-2,3-DICARBOXYLIC ACID, AMMONIUM SALT (1:2)

Systematic Name

English

ENDOTHAL DIAMMONIUM SALT

Common Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

38908