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TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE is a chemical compound characterized by its molecular formula C15H19BrNO2. It is a derivative of the heterocyclic isoquinoline, which is prevalent in natural products, pharmaceuticals, and biologically active molecules. TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE features a tert-butyl ester group attached to the carboxylate functional group and a bromine atom at the 7-position of the isoquinoline ring, existing in a dihydroisoquinoline form. Its unique chemical structure suggests potential applications in various fields, including pharmaceuticals and organic synthesis.

258515-65-0

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258515-65-0 Usage

Uses

Used in Pharmaceutical Industry:
TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE is used as a pharmaceutical intermediate for the synthesis of various drugs. Its unique chemical structure, including the bromine atom and the dihydroisoquinoline form, may contribute to the development of new therapeutic agents with specific pharmacological properties.
Used in Organic Synthesis:
In the field of organic synthesis, TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE serves as a key building block for the creation of more complex organic molecules. Its tert-butyl ester group and the presence of the bromine atom at the 7-position of the isoquinoline ring make it a versatile starting material for the synthesis of a wide range of compounds with potential applications in various industries.
Used in Chemical Research:
TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE is utilized in chemical research to explore its reactivity, stability, and potential interactions with other molecules. Understanding its properties can lead to the discovery of new chemical reactions and the development of innovative synthetic methods.

Check Digit Verification of cas no

The CAS Registry Mumber 258515-65-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,5,8,5,1 and 5 respectively; the second part has 2 digits, 6 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 258515-65:
(8*2)+(7*5)+(6*8)+(5*5)+(4*1)+(3*5)+(2*6)+(1*5)=160
160 % 10 = 0
So 258515-65-0 is a valid CAS Registry Number.
InChI:InChI=1/C14H18BrNO2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9H2,1-3H3

258515-65-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 7-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate

1.2 Other means of identification

Product number -
Other names 2-Boc-7-bromo-3,4-dihydro-1H-isoquinoline

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:258515-65-0 SDS

258515-65-0Relevant academic research and scientific papers

Structure-activity relationships of 7-substituted dimethyltyrosine-tetrahydroisoquinoline opioid peptidomimetics

Montgomery, Deanna,Anand, Jessica P.,Baber, Mason A.,Twarozynski, Jack J.,Hartman, Joshua G.,Delong, Lennon J.,Traynor, John R.,Mosberg, Henry I.

, (2019)

The opioid receptors modulate a variety of biological functions, including pain, mood, and reward. As a result, opioid ligands are being explored as potential therapeutics for a variety of indications. Multifunctional opioid ligands, which act simultaneously at more than one type of opioid receptor, show promise for use in the treatment of addiction, pain, and other conditions. Previously, we reported the creation of bifunctional kappa opioid receptor (KOR) agonist/mu opioid receptor (MOR) partial agonist ligands from the classically delta opioid receptor (DOR) antagonist selective dimethyltyrosine-tetrahydroisoquinoline (Dmt-Tiq) scaffold through the addition of a 7-benzyl pendant on the tetrahydroisoquinoline ring. This study further explores the structure-activity relationships surrounding 7-position pendants on the Dmt-Tiq scaffold. Some analogues maintain a KOR agonist/MOR partial agonist profile, which is being explored in the development of a treatment for cocaine addiction. Others display a MOR agonist/DOR antagonist profile, which has potential to be used in the creation of a less addictive pain medication. Ultimately, we report the synthesis and in vitro evaluation of novel opioid ligands with a variety of multifunctional profiles.

PYRROLO[2,3-B]PYRIDINES AS HPK1 INHIBITOR AND USES THEREOF

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Page/Page column 21, (2020/06/10)

Disclosed herein is a compound of Formula (I), or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof, and pharmaceutical compositions comprising thereof. Also disclosed is a method of treating HPK1 related disorders or diseases by using the compound disclosed herein.

MACROCYCLIC COMPOUND AND USE THEREOF

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Paragraph 0193, (2020/07/05)

A compound represented by the following formula (I): wherein each symbol in the formula is as described herein or a salt thereof has an NRF2 activating activity, and is expected to be useful as a preventive or therapeutic agent for diseases associated with oxidative stress, in particular, hepatic disease (for example, non-alcoholic steatohepatitis (NASH)), cardiovascular disease (for example, heart failure or pulmonary arterial hypertension), lung disease (for example, chronic obstructive pulmonary disease (COPD)), kidney disease (for example, chronic kidney disease (CKD) or acute kidney injury (AKI)), central nervous system disease (for example, Parkinson's disease), mitochondrial disease (for example, Friedreich motor ataxia, mitochondrial myopathy), inflammatory disease (for example, multiple sclerosis (MS), inflammatory bowel disease (IBD)), sickle cell disease, cancer, or the like.

GPR40 receptor stimulant, and preparation method, pharmaceutical composition and application thereof

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Paragraph 0163-0165; 0181-0183; 0185, (2019/10/15)

The invention discloses a GPR40 receptor stimulant, and a preparation method, a pharmaceutical composition and application thereof. The invention particularly discloses a GPR40 receptor stimulant shown in general formula (I) and pharmacologically acceptable salt thereof, a preparation process of the compound, a pharmaceutical composition containing the compound of general formula (I), and application of the compound and the pharmaceutical composition in anti-diabetes.

NOVEL TETRAHYDROISOQUINOLINES AND TERAHYDRONAPHTHYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION

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Page/Page column 41, (2018/05/24)

The present invention provides novel compounds having the general formula (I): wherein R1, R 2, R 3, U, V, W, X and Y are as described herein, compositions including the compounds and methods of using the compounds.

NRF2 ACTIVATOR

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Page/Page column 45; 46, (2018/08/20)

Provided are tetrahydroisoquinoline derivatives as Nrf2 activators.

DDQ-promoted mild and efficient metal-free oxidative α-cyanation of N-acyl/sulfonyl 1,2,3,4-tetrahydroisoquinolines

Kim, Hong Pyo,Yu, Heesun,Kim, Hyoungsu,Kim, Seok-Ho,Lee, Dongjoo

, (2018/12/13)

A mild and highly efficient metal-free oxidative α-cyanation of N-acyl/sulfonyl 1,2,3,4-tetrahydroisoquinolines (THIQs) has been accomplished at an ambient temperature via DDQ oxidation and subsequent trapping of N-acyl/sulfonyl iminium ions with (n-Bu)s

Design, synthesis and biological evaluation of a series of novel GPR40 agonists containing nitrogen heterocyclic rings

Sun, Zhaozhu,Zhou, Tian,Pan, Xuan,Yang, Ying,Huan, Yi,Xiao, Zhiyan,Shen, Zhufang,Liu, Zhanzhu

, p. 3050 - 3056 (2018/08/11)

A novel series of GPR40 agonists is designed by introducing nitrogen-containing heterocyclic ring at the terminal phenyl ring of TAK-875 with the aim of decreasing its lipophilicity. Three different β-substituted phenylpropionic acids were investigated as the acidic components. A total of 34 compounds have been synthesized, among which, compound 30 exhibited comparable GPR40 agonistic activity in vitro with TAK-875 and relatively lower lipophilicity through calculation (30, EC50 = 1.2 μM, cLogP = 1.3; TAK-875: EC50 = 5.1 μM, cLogP = 3.4). Moreover, compound 30 was able to enhance the insulin secretion of primary islets isolated from normal ICR mice and showed no obvious inhibition against cytochromes P450 in vitro. In vivo, compound 30 exhibited efficacy in oral glucose tolerance test (oGTT) in normal ICR mice.

Substituted ring compound and its method and use thereof

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Paragraph 0620; 0621, (2017/08/25)

The invention provides a substituted cyclic compound as well as a use method and application thereof. The compound is a compound as shown in a formula (I) or stereoisomers, stereomers, tautomers, nitric oxides, solvates, metabolites and pharmaceutically acceptable salts or prodrugs of the compound as shown in the formula (I). The invention further provides a medicament composition containing the compound. The compound and the medicament composition are capable of regulating the activity of protein kinase in a biological sample body and are used for protecting, treating or relieving proliferative diseases of patients. The formula (I) is as shown in the specification.

ANTIVIRAL COMPOUNDS

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Page/Page column 42-43, (2017/01/23)

This invention relates to a series of tricyclic compounds comprising a pteridinone core linked to a third heterocycloalkyl ring. The compounds are useful in the treatment of Hepatitis B viral infections. The invention also relates to pharmaceutical compos

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