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1,2-Benzenediamine, 4-bromo-N2-(1-methylethyl)-, also known as 4-Bromo-2-isopropylaminoaniline, is a brominated derivative of 1,2-benzenediamine with the molecular formula C10H14BrN2. It is a chemical compound that is commonly used in various applications due to its unique properties.

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  • 1038408-35-3 Structure
  • Basic information

    1. Product Name: 1,2-BenzenediaMine, 4-broMo-N2-(1-Methylethyl)-
    2. Synonyms: 1,2-BenzenediaMine, 4-broMo-N2-(1-Methylethyl)-;5-bromo-N1-isopropylbenzene-1,2-diamine
    3. CAS NO:1038408-35-3
    4. Molecular Formula: C9H13BrN2
    5. Molecular Weight: 229.11692
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1038408-35-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 1,2-BenzenediaMine, 4-broMo-N2-(1-Methylethyl)-(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1,2-BenzenediaMine, 4-broMo-N2-(1-Methylethyl)-(1038408-35-3)
    11. EPA Substance Registry System: 1,2-BenzenediaMine, 4-broMo-N2-(1-Methylethyl)-(1038408-35-3)
  • 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: 1038408-35-3(Hazardous Substances Data)

1038408-35-3 Usage

Uses

Used in Pharmaceutical and Agrochemical Synthesis:
1,2-Benzenediamine, 4-bromo-N2-(1-methylethyl)is used as a key intermediate in the synthesis of pharmaceuticals and agrochemicals. Its unique chemical structure allows it to be incorporated into various compounds, enhancing their therapeutic or pesticidal properties.
Used as a Dye Intermediate:
1,2-BenzenediaMine, 4-broMo-N2-(1-Methylethyl)is also utilized as a dye intermediate in the production of various dyes. Its ability to form stable complexes with other molecules makes it a valuable component in the dye industry.
Used in Hair Dye Production:
1,2-Benzenediamine, 4-bromo-N2-(1-methylethyl)is used in the production of hair dyes, where it contributes to the coloration and stability of the final product. Its presence in hair dyes ensures even distribution of color and long-lasting results.
Used in Chemical Research:
Due to its unique chemical properties, 1,2-Benzenediamine, 4-bromo-N2-(1-methylethyl)is also used in chemical research for the development of new compounds and the study of chemical reactions.
Safety Precautions:
It is important to handle 1,2-Benzenediamine, 4-bromo-N2-(1-methylethyl)with care, as it is a hazardous material. It can cause skin and eye irritation, and it is harmful if ingested or inhaled. Proper safety measures, such as wearing protective clothing and using appropriate ventilation, should be taken during its use and handling.

Check Digit Verification of cas no

The CAS Registry Mumber 1038408-35-3 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,3,8,4,0 and 8 respectively; the second part has 2 digits, 3 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 1038408-35:
(9*1)+(8*0)+(7*3)+(6*8)+(5*4)+(4*0)+(3*8)+(2*3)+(1*5)=133
133 % 10 = 3
So 1038408-35-3 is a valid CAS Registry Number.

1038408-35-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-bromo-2-N-propan-2-ylbenzene-1,2-diamine

1.2 Other means of identification

Product number -
Other names 5-Bromo-N1-isopropylbenzene-1,2-diamine

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:1038408-35-3 SDS

1038408-35-3Relevant articles and documents

Discovery of N-(4-(3-isopropyl-2-methyl-2 H-indazol-5-yl)pyrimidin-2-yl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine as a Novel, Potent, and Oral Cyclin-Dependent Kinase Inhibitor against Haematological Malignancies

Huang, Jianhang,Wang, Xinren,Dong, Ruinan,Liu, Xiaoyue,Li, Hongmei,Zhang, Tianyi,Xu, Junyu,Liu, Chenhe,Zhang, Yanmin,Hou, Shaohua,Tang, Weifang,Lu, Tao,Chen, Yadong

supporting information, p. 12548 - 12571 (2021/09/11)

Hematologic malignancies (HM) start in blood forming tissue or in the cells of the immune system. Cyclin-dependent kinases (CDKs) regulate cell cycle progression, and some of them control cellular transcription. CDK inhibition can trigger apoptosis and could be particularly useful in hematological malignancies. Herein, we describe our efforts toward the discovery of a novel series of quinazoline derivatives as CDK inhibitors. Intensive structural modifications lead to the identification of compound 37d as the most active inhibitors of CDKs 1, 2, 4, 8 and 9 with balancing potency and selectivity against CDKs. Further biological studies revealed that compound 37d can arrest the cell cycle and induce apoptosis via activating PARP and caspase 3. More importantly, compound 37d showed good antitumor efficacy in multiple HM mice xenograft models with no obvious toxicity. These results indicated that CDK 1, 2, 4, 8, and 9 inhibitors could be potentially used to treat certain hematologic malignancies.

PROTEIN TYROSINE PHOSPHATASE DEGRADERS AND METHODS OF USE THEREOF

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Page/Page column 193-194, (2021/06/26)

Provided herein are compounds, compositions, and methods useful for degrading protein tyrosine phosphatase, e.g., protein tyrosine phosphatase non-receptor type 2 (PTPN2) and/or protein tyrosine phosphatase non-receptor type 1 (PTPN1), and for treating related diseases favorably responsive to PTPN1 or PTPN2 inhibitor treatment, e.g., a cancer 5 or a metabolic disease.

THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS

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Paragraph 0214, (2021/03/05)

Provided herein are compounds, preferably thyroid hormone receptor beta (THR beta) agonist compounds, compositions thereof, and methods of their preparation, and methods of agonizing THR beta and methods for treating disorders mediated by THR beta.

AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY

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Paragraph 0384; 0386, (2019/06/07)

An amino pyrimidine compound for inhibiting protein tyrosine kinase activity, a pharmaceutical composition thereof, preparation therefor, and an application thereof. Specifically, an amino pyrimidine compound represented by formula (I), R1, R2, L, Y, R6, W, A, m, and n being defined in the specification, and a pharmaceutically acceptable salt, a stereoisomer, a solvent compound, a hydrate, a polymorphism, a prodrug, or an isotope variant thereof. The compound can be used for treating and/or preventing protein tyrosine kinase-related diseases such as cell proliferative diseases, cancers, and immune diseases.

Novel dual inhibitors targeting CDK4 and VEGFR2 synergistically suppressed cancer progression and angiogenesis

Huang, Zhi,Zhao,Qin, Zhongxiang,Li, Yongtao,Wang, Tianqi,Zhou, Wei,Zheng, Jianyu,Yang, Shengyong,Shi, Yi,Fan, Yan,Xiang, Rong

, (2019/08/07)

Based on the significantly synergistic effects of CDK4 and VEGFR2 inhibitors on growth of cancer cells, a series of novel multi-kinase inhibitors targeting CDK4 and VEGFR2 were designed, synthesized and evaluated, among which Roxyl-ZV-5J exhibited potent and balanced activities against both CDK4 and VEGFR2 with half-maximal inhibitory concentration at the nanomolar level. It effectively induced breast and cervical cancer cell cycle arrest and cell apoptosis. Roxyl-ZV-5J also inhibited the proliferation, tube formation and VEGFR2 downstream signaling pathways of HUVECs. Oral administration of Roxyl-ZV-5J led to significant tumor regression and anti-angiogenesis without obvious toxicity in SiHa xenograft mouse model. In addition, this compound showed good pharmacokinetics. This study confirmed a new tool for dual CDK-VEGFR2 pathways inhibition achieved with a single molecule, which provided valuable leads for further structural optimization and anti-angiogenesis and anti-tumor mechanism study.

Nitrogen-containing bicyclic compounds and preparation method and use thereof

-

Paragraph 0354; 0359-0360; 0397; 0402-0403; 0485; 0490-0491, (2018/11/04)

The present invention relates to nitrogen-containing bicyclic compounds and a preparation method and use thereof. The compounds or pharmaceutical compositions can be used as an inhibitor of retinoic acid-related orphan receptor gamma t (ROR gamma t). The invention also relates to the preparation method of the compounds and pharmaceutical compositions, and use of the in the compounds and pharmaceutical compositions in treatment or prevention of RORyt-mediated inflammatation or autoimmune diseases in mammals, particularly humans.

Discovery of a series of dihydroquinoxalin-2(1H)-ones as selective BET inhibitors from a dual PLK1-BRD4 inhibitor

Hu, Jianping,Wang, Yingqing,Li, Yanlian,Xu, Lin,Cao, Danyan,Song, ShanShan,Damaneh, Mohammadali Soleimani,Wang, Xin,Meng, Tao,Chen, Yue-Lei,Shen, Jingkang,Miao, Zehong,Xiong, Bing

, p. 176 - 195 (2017/06/07)

Recent years have seen much effort to discover new chemotypes of BRD4 inhibitors. Interestingly, some kinase inhibitors have been demonstrated to be potent bromodomain inhibitors, especially the PLK1 inhibitor BI-2536 and the JAK2 inhibitor TG101209, which can bind to BRD4 with IC50 values of 0.025 μM and 0.13 μM, respectively. Although the concept of dual inhibition is intriguing, selective BRD4 inhibitors are preferred as they may diminish off-target effects and provide more flexibility in anticancer drug combination therapy. Inspired by BI-2536, we designed and prepared a series of dihydroquinoxalin-2(1H)-one derivatives as selective bromodomain inhibitors. We found compound 54 had slightly higher activity than (+)-JQ1 in the fluorescence anisotropy assay and potent antiproliferative cellular activity in the MM.1S cell line. We have successfully solved the cocrystal structure of 52 in complex with BRD4-BD1, providing a solid structural basis for the binding mode of compounds of this series. Compound 54 exhibited high selectivity over most non-BET subfamily members and did not show bioactivity towards the PLK1 kinase at 10 or 1 μM. From in vivo studies, compound 54 demonstrated a good PK profile, and the results from in vivo pharmacological studies clearly showed the efficacy of 54 in the mouse MM.1S xenograft model.

BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS

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Page/Page column 221-222, (2013/02/28)

Provided are compounds of Formulas I, II, III, IV, V, and pharmaceutically acceptable salts thereof, their pharmaceutical compositions, their methods of preparation, and their use for treating viral infections mediated by a member of the Flaviviridae family of viruses such as hepatitis C virus (HCV).

NOVEL JNK INHIBITORS

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Page/Page column 110, (2008/12/07)

Disclosed are compounds of the formula (I) wherein X is N or CH, and Y is N or CR5. Also disclosed are methods of treating JNK and ERK mediated diseases using the compounds of formula 1.0.

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