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Gramine is an organic compound with a variety of applications in different industries, including pharmaceuticals, agriculture, and chemical synthesis.

87-52-5

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87-52-5 Usage

Uses

Used in Pharmaceutical Industry:
Gramine is used as a reactant for the preparation of various drugs, such as dopamine D2 receptor antagonists, anti-malarial drugs, and proliferation inhibitors. It plays a crucial role in the development of these medications due to its unique chemical properties.
Used in Chemical Synthesis:
Gramine serves as a key reactant in the synthesis of several chemical compounds, such as 5-indolyl-Mannich bases, inhibitors of human mast cell chymase, DL-tryptophan, potential detoxification inhibitors of the crucifer phytoalexin brassinin, 3-vinylindoles, and serotonin 5-HT6 receptor ligand templates. Its versatility in chemical reactions makes it an essential component in various chemical processes.
Used in Agricultural Industry:
Gramine is used as a selective protein kinase C delta (PKCδ) down regulator, which can help in the development of new agricultural products and improve crop yields. Its ability to regulate specific protein kinases makes it a valuable tool in agricultural research and development.

Purification Methods

Crystallise gramine from diethyl ether, ethanol or acetone. It sublimes at 59o/0.001mm. The hydrochloride crystallises from EtOH/Et2O with m 190.5-191.0o(dec). [Culvenor et al. Aust J Chem 17 1301 1964, Beilstein 22 III/IV 4302, 22/10 V 25.]

Check Digit Verification of cas no

The CAS Registry Mumber 87-52-5 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 8 and 7 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 87-52:
(4*8)+(3*7)+(2*5)+(1*2)=65
65 % 10 = 5
So 87-52-5 is a valid CAS Registry Number.
InChI:InChI=1/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3

87-52-5 Well-known Company Product Price

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  • Detail
  • TCI America

  • (D0653)  Gramine  >98.0%(T)

  • 87-52-5

  • 25g

  • 295.00CNY

  • Detail
  • TCI America

  • (D0653)  Gramine  >98.0%(T)

  • 87-52-5

  • 250g

  • 1,730.00CNY

  • Detail
  • Aldrich

  • (G10806)  Gramine  99%

  • 87-52-5

  • G10806-25G

  • 342.81CNY

  • Detail

87-52-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(1H-indol-3-yl)-N,N-dimethylmethanamine

1.2 Other means of identification

Product number -
Other names 1H-Indole-3-methanamine, N,N-dimethyl-

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:87-52-5 SDS

87-52-5Related news

Gramine (cas 87-52-5) attenuates EGFR-mediated inflammation and cell proliferation in oral carcinogenesis via regulation of NF-κB and STAT3 signaling07/19/2019

Gramine, a natural indole alkaloid found in Hordeum vulgare has been possesses anti-mutagenic properties. The aim of the present study was to evaluate the effect of gramine on inflammation and proliferation in 7,12-dimethylbenz[a]anthracene(DMBA)-induced hamster buccal pouch (HBP) carcinogenesis...detailed

Synthesis, antibacterial activity, and application in the antifouling marine coatings of novel acylamino compounds containing Gramine (cas 87-52-5) groups07/18/2019

Basing on the previous syntheses of ester compounds containing gramine functional groups, the researchers synthesized two novel acylamino compounds containing gramine groups and the structures of target compound were established using 1HNMR, 13CNMR, IR spectra, and elemental analysis. The antiba...detailed

Effective extraction of quinine and Gramine (cas 87-52-5) from water by hydrophobic ionic liquids: The role of anion07/17/2019

In this work, a series of hydrophobic ionic liquids (ILs) with ClO4−, BF4−, PF6−, CF3SO3− and bis(trifluoromethanesulphonyl)imide (NTf2−) as anions were synthesized. Their extraction ability for the two alkaloids, quinine and gramine was studied. The experimental results suggested that the extra...detailed

Gramine (cas 87-52-5) inhibits angiogenesis and induces apoptosis via modulation of TGF-β signalling in 7,12 dimethylbenz[a]anthracene (DMBA) induced hamster buccal pouch carcinoma07/16/2019

BackgroundTransforming growth factor-β (TGF-β) and its receptors are considered as a novel target in cancer chemotherapy. Gramine, an indole alkaloid, possesses various pharmacological properties including antiproliferative and anticancer. However, the anti-angiogenic property remains unexplored.detailed

Synthesis and characterization of imprinted sorbent for separation of Gramine (cas 87-52-5) from bovine serum albumin07/15/2019

The aim of this study was to develop an efficient sorbent for separation of N,N-dimethyl-3-aminomethylindole (gramine) from bovine serum albumin. An imprinting technology was involved in the synthesis of polymers from nine different functional monomers in the presence of ethylene glycol dimethac...detailed

Haemolytic activity of formyl- and acetyl-derivatives of bile acids and their Gramine (cas 87-52-5) salts07/14/2019

Bile acids (lithocholic: LCA, deoxycholic: DCA and cholic: CA) and their formyl- and acetyl-derivatives can be used as starting material in chemical synthesis of compounds with different biological activity strongly depended on their chemical structures. Our previous studies showed that biologic...detailed

87-52-5Relevant academic research and scientific papers

SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS

-

Paragraph 00707-00709, (2022/04/03)

Disclosed herein are compounds that selectively bind an expanded transcribed repeat r(G4C2)exp, prevent sequestration of RNA-binding proteins, and inhibit translation of repeat associated non-ATG (RAN) translation responsible for generation of toxic dipeptide repeats underlying diseases such as amyotrophic lateral sclerosis (ALS) and frontotemporal dementia (FTD). The compounds and their pharmaceutical compositions are useful in treating a disease or condition characterized by an expanded G4C2 repeat RNA (r(G4C2)exp), such as ALS and FTD.

The structural simplification of lysergic acid as a natural lead for synthesizing novel anti-Alzheimer agents

Alzweiri, Muhammed,A. Alsegiani, Amsha,Karaj, Endri,A. Almarghalani, Daniyah,Tabaza, Yahia,A. Shah, Zahoor,Tillekeratne, L.M. Viranga

supporting information, (2021/06/26)

Alzheimer's disease (AD) is a neurodegenerative disorder, projected to be the second leading cause of mortality by 2040. AD is characterized by a progressive impairment of memory leading to dementia and loss of ability to carry out daily functions. In addition to the deficiency of acetylcholine release in synapse, there are other mechanisms explaining the etiology of the disease. The most disputing ones are associated with the accumulation of damaged proteins β-amyloid (Aβ) and hyperphosphorylated tau outside and inside neurons, respectively. Lysergic acid derivatives have been shown to possess promising anti-Alzheimer effect. Moreover, lysergic acid structure encompasses the general structural requirements for acetylcholinesterase inhibition. In this study, sixteen analogues, derived from lysergic acid structure, were synthesized. Heck and Mannich reactions were carried out to 4-bromo indole nucleus to generate potentially active analogues. Some of them were subsequently cyclized by nitromethane and zinc reduction procedures. Some of these compounds showed neuroprotective and anti-inflammatory effects stronger than the currently used anti-Alzheimer drug; donepezil. Some of the synthesized com-pounds showed a noticeable acetylcholinesterase inhibition. Twelve molecular targets attributed with AD etiology were tested versus the synthesized compounds by in silico modeling. Docking scores of modeling were plotted against in vitro activity of the compounds. The one afforded the strongest positive correlation was ULK-1 which has a significant role in autophagy.

Rhodium-Catalyzed Stereoselective Cyclization of 3-Allenylindoles and N-Allenyltryptamines to Functionalized Vinylic Spiroindolenines

Becker, Antonia,Breit, Bernhard,Grugel, Christian P.

supporting information, p. 3788 - 3792 (2021/05/29)

Herein, we report a highly enantio- and diastereoselective rhodium-catalyzed cyclization of N-allenyltryptamines and 3-allenylindoles to 6-membered spirocyclic indolenines. This allylic addition methodology offers the advantage of using a comparably cheap commercially available ligand with low loadings of an affordable rhodium precursor. The products can be converted into functionalized spirooxindoles and spiroindolines, which are regarded as important building blocks for the synthesis of a lot of natural products with biological activities.

Photo Click Reaction of Acylsilanes with Indoles

Stuckhardt, Constantin,Studer, Armido,Wissing, Maren

supporting information, p. 18605 - 18611 (2021/07/26)

Light-mediated coupling of acylsilanes with indoles is reported. This photo click reaction occurs under mild conditions (415 nm) mostly in quantitative yield and provides stable silylated N,O-acetals via light mediated siloxycarbene generation with subsequent indole-N-H insertion. We show that this very efficient and fully atom economic coupling process can be applied to conjugate complex systems, as documented by the clicking of carbohydrates with indole alkaloids. The method is also applicable to the conjugation of polymer chains. The linking acetal moiety can be readily cleaved and it is also shown that wavelength-selective coupling and cleavage with acyl silanes bearing a second photoactive moiety is possible. This is documented by a successful polymerization/depolymerization sequence and by a polymer folding/unfolding process.

Synthesis and in Vitro Evaluation of Novel 5-Nitroindole Derivatives as c-Myc G-Quadruplex Binders with Anticancer Activity

Nimbarte, Vijaykumar D.,Wirmer-Bartoschek, Julia,Gande, Santosh L.,Alshamleh, Islam,Seibert, Marcel,Nasiri, Hamid Reza,Schnütgen, Frank,Serve, Hubert,Schwalbe, Harald

, p. 1667 - 1679 (2021/03/24)

Lead-optimization strategies for compounds targeting c-Myc G-quadruplex (G4) DNA are being pursued to develop anticancer drugs. Here, we investigate the structure-activity- relationship (SAR) of a newly synthesized series of molecules based on the pyrrolidine-substituted 5-nitro indole scaffold to target G4 DNA. Our synthesized series allows modulation of flexible elements with a structurally preserved scaffold. Biological and biophysical analyses illustrate that substituted 5-nitroindole scaffolds bind to the c-Myc promoter G-quadruplex. These compounds downregulate c-Myc expression and induce cell-cycle arrest in the sub-G1/G1 phase in cancer cells. They further increase the concentration of intracellular reactive oxygen species. NMR spectra show that three of the newly synthesized compounds interact with the terminal G-quartets (5′- and 3′-ends) in a 2 : 1 stoichiometry.

Visible-light-induced cascade dearomatization cyclization between alkynes and indole-derived bromides: A facile strategy to synthesize spiroindolenines

Gao, Xiaoshuang,Yuan, Yao,Xie, Xiaomin,Zhang, Zhaoguo

supporting information, p. 14047 - 14050 (2020/11/21)

A visible-light-initiated intermolecular dearomatization cyclization cascade reaction between alkynes and indole-derived bromides has been explored. This transformation exhibits a wide substrate scope and significant functional group tolerance, providing an efficient way to access a variety of spiroindolenines under mild conditions. This journal is

Novel Preparation of Hemiaminal Derivatives with BPO and N,N-Dimethylamides and Their Synthetic Use for (Aminomethyl)indoles

Nakamura, Kohei,Togo, Hideo

, p. 4713 - 4722 (2020/08/03)

A novel preparation of hemiaminal derivatives bearing both an amide group and a benzoate group was carried out in good yields by the treatment of BPO in N,N-dimethylamides under warming condition at 80 °C or irradiation with a mercury lamp. Further treatment of the obtained hemiaminal derivatives with indoles in 1,1,1,3,3,3-hexafluoro-2-propanol generated the corresponding C–C bonded indoles bearing an amide group in good yields. The formed indoles bearing an amide group were smoothly transformed into the corresponding indoles bearing an aminomethyl group.

Natural Products for Drug Discovery: Discovery of Gramines as Novel Agents against a Plant Virus

Lu, Aidang,Wang, Tienan,Hui, Hao,Wei, Xiaoye,Cui, Weihao,Zhou, Chunlv,Li, Hongyan,Wang, Ziwen,Guo, Jincheng,Ma, Dejun,Wang, Qingmin

, p. 2148 - 2156 (2019/03/08)

Plant viral diseases seriously affect crop yield and quality. The natural product gramine (1) and its simple structural analogues 2-35 were synthesized from indoles, amines, and aldehydes in one step. The antiviral effects of these alkaloids were evaluated systematically. Most of these compounds were found to have higher antiviral effects than commercial ribavirin for the first time. Especially compounds 22, 30, and 31 exhibited significantly higher effects than ningnanmycin, thereby emerging as novel antiviral leads for further optimization. The preliminary implementation indicated that these compounds likely inhibit the assembly of tobacco mosaic virus (TMV) by cross-linking TMV capsid protein. Gramine analogues were also found to have broad-spectrum fungicidal effects. Although gramine has been reported to have influence on germination and development of Erysiphe graminis, these compounds displayed no fungicidal effects against Blumeria graminis f. sp. tritici on wheat in our test. Some of these compounds also exhibited certain insecticidal activities.

Rhodium-Catalyzed Enantioselective Cyclization of 3-Allenyl-indoles: Access to Functionalized Tetrahydrocarbazoles

Grugel, Christian P.,Breit, Bernhard

supporting information, p. 5798 - 5802 (2019/06/08)

A highly selective rhodium-catalyzed cyclization of tethered 3-allenylindoles is reported. In a smooth reaction, 1-vinyltetrahydrocarbazoles are obtained in excellent yields and enantioselectivities. Aside from a great functional group tolerance, this method requires neither the Schlenk technique nor the use of anhydrous solvents. Preliminary mechanistic investigations proved that the reaction proceeds via an intermediary formed spiroindolenine which rapidly undergoes an acid-catalyzed stereospecific migration.

Rhodium-Catalyzed Diastereo- And Enantioselective Tandem Spirocyclization/Reduction of 3-Allenylindoles: Access to Functionalized Vinylic Spiroindolines

Grugel, Christian P.,Breit, Bernhard

supporting information, p. 9672 - 9676 (2019/12/24)

A highly selective rhodium-catalyzed tandem spirocyclization/reduction of 3-allenylindoles is reported. By employing a Hantzsch ester as reductant, vinylic spiroindolines are obtained in excellent yields as well as diastereo- and enantioselectivity. In addition, the reaction's synthetic utility is highlighted by broad functional group compatibility and exemplified by a gram scale reaction with subsequent assorted transformations.

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