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51885-91-7

Methyl 4-ethyl-3-iodo-benzoate is an organic compound with the molecular formula C10H11IO2. It is a derivative of benzoic acid, featuring an iodine atom at the 3-position, an ethyl group at the 4-position, and a methyl ester group. Methyl 4-ethyl-3-iodo-benzoate is known for its potential applications in the pharmaceutical industry, particularly in the development of inhibitors for cancer treatment.

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  • 51885-91-7 Structure

  • Basic information

    1. Product Name: Methyl 4-ethyl-3-iodo-benzoate
    2. Synonyms: Methyl 4-ethyl-3-iodo-benzoate;Methyl 4-Ethyl-iodobenzoate;4-Ethyl-3-iodo-benzoic acid Methyl ester;Methyl 4-ethyl-3-iodbenzoate
    3. CAS NO:51885-91-7
    4. Molecular Formula: C10H11IO2
    5. Molecular Weight: 290.09761
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 51885-91-7.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 326.914°C at 760 mmHg
    3. Flash Point: 151.513°C
    4. Appearance: /
    5. Density: 1.592g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.578
    8. Storage Temp.: 2-8°C(protect from light)
    9. Solubility: N/A
    10. CAS DataBase Reference: Methyl 4-ethyl-3-iodo-benzoate(CAS DataBase Reference)
    11. NIST Chemistry Reference: Methyl 4-ethyl-3-iodo-benzoate(51885-91-7)
    12. EPA Substance Registry System: Methyl 4-ethyl-3-iodo-benzoate(51885-91-7)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 51885-91-7(Hazardous Substances Data)

51885-91-7 Usage

Uses

Used in Pharmaceutical Industry:
Methyl 4-ethyl-3-iodo-benzoate is used as a key intermediate in the synthesis of DDR1 (Discoidin Domain Receptor 1) inhibitors. These inhibitors play a crucial role in the proliferation of cancer cells that exhibit high levels of DDR1, a receptor tyrosine kinase involved in cell adhesion, migration, and proliferation. By targeting DDR1, these inhibitors can potentially halt the growth of cancer cells and contribute to the development of novel cancer therapies.
Additionally, Methyl 4-ethyl-3-iodo-benzoate is utilized in the synthesis of GZD824, a compound that serves as an inhibitor for the treatment of chronic myelogenous leukemia (CML). CML is a type of blood cancer characterized by the overproduction of white blood cells, and GZD824 has shown promise in targeting the underlying molecular mechanisms of the disease, offering a potential therapeutic option for patients suffering from CML.

Check Digit Verification of cas no

The CAS Registry Mumber 51885-91-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,1,8,8 and 5 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 51885-91:
(7*5)+(6*1)+(5*8)+(4*8)+(3*5)+(2*9)+(1*1)=147
147 % 10 = 7
So 51885-91-7 is a valid CAS Registry Number.
InChI:InChI=1/C10H11IO2/c1-3-7-4-5-8(6-9(7)11)10(12)13-2/h4-6H,3H2,1-2H3

51885-91-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 4-ethyl-3-iodobenzoate

1.2 Other means of identification

Product number -
Other names Methyl 4-ethyl-3-iodbenzoate

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:51885-91-7 SDS

51885-91-7Relevant articles and documents

Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2

Wang, Zhen,Zhang, Yali,Pinkas, Daniel M.,Fox, Alice E.,Luo, Jinfeng,Huang, Huocong,Cui, Shengyang,Xiang, Qiuping,Xu, Tingting,Xun, Qiuju,Zhu, Dongsheng,Tu, Zhengchao,Ren, Xiaomei,Brekken, Rolf A.,Bullock, Alex N.,Liang, Guang,Ding, Ke,Lu, Xiaoyun

, p. 7977 - 7990 (2018/09/06)

Discoidin-domain receptors 1 and 2 (DDR1 and DDR2) are new potential targets for anti-inflammatory-drug discovery. A series of heterocycloalkynylbenzimides were designed and optimized to coinhibit DDR1 and DDR2. One of the most promising compounds, 5n, ti

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