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(3S,4aR,6S,8aR)-6-(phosphonomethyl)decahydroisoquinoline-3-carboxylic acid, also known as PMIDA, is a phosphonic acid derivative with potent inhibitory properties against the enzyme 5-enolpyruvylshikimate-3-phosphate synthase (EPSP synthase). This enzyme plays a crucial role in the biosynthesis of aromatic amino acids in plants and bacteria. PMIDA is a versatile compound with applications in various industries due to its unique chemical properties and inhibitory effects.

136109-04-1

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136109-04-1 Usage

Uses

Used in Agriculture:
PMIDA is used as an active ingredient in herbicides, specifically in the commercial herbicide glyphosate. It functions by disrupting the shikimate pathway in susceptible plants, which leads to their eventual death. This makes it an essential tool for controlling unwanted plant growth and ensuring the health and productivity of crops.
Used as a Chelating Agent:
PMIDA's ability to form stable complexes with metal ions makes it a valuable chelating agent. It is used in various industrial processes to sequester metals, preventing them from causing unwanted reactions or interferences. This application is particularly useful in the chemical, pharmaceutical, and environmental sectors.
Used in the Synthesis of Phosphonic Acid Derivatives:
As a raw material, PMIDA is utilized in the synthesis of other phosphonic acid derivatives. These derivatives have a wide range of applications, including pharmaceuticals, agrochemicals, and specialty chemicals. The versatility of PMIDA as a starting material for synthesis contributes to its importance in the chemical industry.

Check Digit Verification of cas no

The CAS Registry Mumber 136109-04-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,6,1,0 and 9 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 136109-04:
(8*1)+(7*3)+(6*6)+(5*1)+(4*0)+(3*9)+(2*0)+(1*4)=101
101 % 10 = 1
So 136109-04-1 is a valid CAS Registry Number.

136109-04-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-(phosphonomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid

1.2 Other means of identification

Product number -
Other names 6-(phosphonomethyl)decahydroisoquinoline-3-carboxylic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:136109-04-1 SDS

136109-04-1Downstream Products

136109-04-1Relevant academic research and scientific papers

Stereoselective Synthesis of 6-Substituted Decahydroisoquinoline-3-carboxylates: Intermediates for the Preparation of Conformationally Constrained Acidic Amino Acids

Ornstein, Paul L.,Augenstein, Nancy K.,Arnold, M. Brian

, p. 7862 - 7869 (2007/10/02)

In this article we describe the stereoselective preparation of two 6-(hydroxymethyl) substituted decahydroisoquinoline-3-carboxylates, which are useful in the synthesis of a number of excitatory amino acid antagonists, e.g., (-)-1a (LY235959), (-)-2a (LY202157) and (-)-3a (LY293558).For example, the known ketone 4 was converted to either the (3SR,4aRS,6SR,8aRS)-alcohol 18 or the (3SR,4aRS,6RS,8aRS)-alcohol 21, the former via a stereoselective hydroboration reaction, the latter via a stereoselective enol ether hydrolysis followed by reduction.These C-6 epimeric alcohols were easily converted to a number of useful intermediates, e.g., aldehydes, bromides and iodides.If we used resolved keone 4, then these intermediates could be obtained in optically active form.In either racemic or non-racemic form, these intermediates provided access to a number of diastereomerically pure amino acids that were difficult to obtain by earlier routes.

6-Substituted decahydroisoquinoline-3-carboxylic acids as potent and selective conformationally constrained NMDA receptor antagonists

Ornstein,Schoepp,Arnold,Augenstein,Lodge,Millar,Chambers,Campbell,Paschal,Zimmerman,Leander

, p. 3547 - 3560 (2007/10/02)

We have prepared a series of 6-substituted decahydroisoquinoline-3- carboxylic acids, and structurally similar analogs, as potential N-methyl-D- aspartate receptor antagonists. There is a large body of evidence to support the use of such compounds as cerebroprotective agents in a variety of acute and chronic neurodegenerative disorders, where some component of glutamate- mediated excitotoxicity may exist. The compounds prepared were evaluated in vitro in both receptor binding assays ([3H]CGS19755, [3H]AMPA, and [3H]kainic acid) and in a cortical wedge preparation (versus NMDA, AMPA, and kainic acid) to determine affinity, potency, and selectivity. The new amino acids were also evaluated in vivo for their ability to block NMDA-induced lethality in mice. We synthesized many of the possible diastereomers of the decahydroisoquinoline nucleus in order to examine the spatial and steric requirements for affinity at the NMDA receptor and activity as NMDA antagonists. From our structure-activity relationship we identified two potent and selective NMDA receptor antagonists, the phosphonate- and tetrazole-substituted amino acids 31a and 32a, respectively, that show good activity in animals following systemic administration. For example, 31a and 32a selectively displaced [3H]CGS19755 binding with IC50s of 55 ± 14 and 856 ± 136 nM, respectively, and selectively antagonized responses due to NMDA in a cortical wedge preparation with IC50s of 0.15 ± 0.01 and 1.39 ± 0.29 μM, respectively. And compounds 31a and 32a blocked NMDA-induced lethality in mice with minimum effective doses of 1.25 and 2.5 mg/kg (intraperitoneal), respectively. These novel amino acids are among some of the most potent NMDA antagonists described thus far, and are excellent candidates for development as neuroprotective agents for a number of CNS disorders.

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