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AKOS BC-1990, with the chemical name 6,7-dimethoxy-4,5,6,7-tetrahydro-1-benzofuran-3-one, is a synthetic intermediate chemical compound characterized by its aromatic and oxygen-containing functional groups. It has a molecular formula of C18H20O6, a molecular weight of 332.34 g/mol, and is a solid at room temperature. AKOS BC-1990 serves as a building block in organic synthesis and is utilized as a research chemical in various laboratory experiments, playing a crucial role in the production of pharmaceuticals and other organic compounds.

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  • 76870-09-2 Structure
  • Basic information

    1. Product Name: AKOS BC-1990
    2. Synonyms: AKOS BC-1990;CHEMBRDG-BB 6570475;4-(2-MORPHOLIN-4-YL-2-OXOETHOXY)ANILINE;UKRORGSYN-BB BBV-099900;[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]amine;4-(2-morpholin-4-yl-2-oxoethoxy)aniline(SALTDATA: FREE);2-(4-aminophenoxy)-1-morpholin-4-ylethanone;2-(4-aminophenoxy)-1-morpholin-4-yl-ethanone
    3. CAS NO:76870-09-2
    4. Molecular Formula: C12H16N2O3
    5. Molecular Weight: 236.269
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 76870-09-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 479.7°C at 760 mmHg
    3. Flash Point: 243.9°C
    4. Appearance: /
    5. Density: 1.24g/cm3
    6. Vapor Pressure: 2.31E-09mmHg at 25°C
    7. Refractive Index: 1.579
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: AKOS BC-1990(CAS DataBase Reference)
    11. NIST Chemistry Reference: AKOS BC-1990(76870-09-2)
    12. EPA Substance Registry System: AKOS BC-1990(76870-09-2)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36
    3. Safety Statements: 26
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 76870-09-2(Hazardous Substances Data)

76870-09-2 Usage

Uses

Used in Pharmaceutical Industry:
AKOS BC-1990 is used as a synthetic intermediate for the production of various pharmaceuticals. Its unique chemical structure and functional groups make it a valuable component in the synthesis of a wide range of medicinal compounds, contributing to the development of new and innovative treatments.
Used in Organic Synthesis:
AKOS BC-1990 is used as a building block in organic synthesis for the creation of various organic compounds. Its aromatic and oxygen-containing functional groups provide versatility in chemical reactions, allowing for the formation of a diverse array of molecules with potential applications in various industries.
Used in Research and Development:
AKOS BC-1990 is used as a research chemical in laboratory experiments, enabling scientists to explore its properties and potential applications. Its utilization in research and development contributes to the advancement of knowledge in the field of chemistry and the discovery of new compounds and materials with practical uses.

Check Digit Verification of cas no

The CAS Registry Mumber 76870-09-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,6,8,7 and 0 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 76870-09:
(7*7)+(6*6)+(5*8)+(4*7)+(3*0)+(2*0)+(1*9)=162
162 % 10 = 2
So 76870-09-2 is a valid CAS Registry Number.
InChI:InChI=1/C12H16N2O3/c13-10-1-3-11(4-2-10)17-9-12(15)14-5-7-16-8-6-14/h1-4H,5-9,13H2

76870-09-2 Well-known Company Product Price

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  • Aldrich

  • (CBR00087)  4-(2-Morpholin-4-yl-2-oxoethoxy)aniline  AldrichCPR

  • 76870-09-2

  • CBR00087-1G

  • 3,221.01CNY

  • Detail

76870-09-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-aminophenoxy)-1-morpholin-4-ylethanone

1.2 Other means of identification

Product number -
Other names -

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:76870-09-2 SDS

76870-09-2Relevant articles and documents

Diaryl urea compound as well as preparation method and pharmaceutical application thereof

-

, (2021/05/08)

The invention belongs to the field of medicinal chemistry, and discloses a novel diarylurea compound as shown in a formula (I), physiologically acceptable salts, solvates and crystal forms of the novel diarylurea compound, a preparation method of the comp

Noncovalent EGFR T790M/L858R inhibitors based on diphenylpyrimidine scaffold: Design, synthesis, and bioactivity evaluation for the treatment of NSCLC

Chen, Lixue,Deng, Tuo,Li, Lei,Li, Zhen,Ma, Xiaodong,Meng, Qiang,Sun, Huijun,Tang, Zeyao,Tian, Liangliang,Wang, Changyuan,Wang, Tong,Xu, Youjun,Zhang, Yunhao,Zheng, Xu

, (2021/07/06)

A series of diphenylpyrimidine derivatives bearing a hydroxamic acid group was designed and synthesized as noncovalent EGFRT790M/L858R inhibitors to improve the biological activity and selectivity. One of the most promising compound 9d effectively interfered EGFRT790M/L858R binding with ATP and suppressed the proliferation of H1975 cells with IC50 values of 1.097 nM and 0.09777 μM, respectively. Moreover, compound 9d also not only exhibited a high selective index of 43.4 for EGFRT790M/L858R over the wild-type and 10.9 for H1975 cells over A431, but also exhibited low toxicity against the normal HBE cells (IC50 > 20 μΜ). In addition, the action mechanism validated that compound 9d effectively inhibited cell migration and promoted cell apoptosis by blocking cell cycle at G2/M stage. Furthermore, the target dose-dependently downregulated the expression of p-EGFR and arrested the activation of downstream Akt and ERK in H1975. All these studies provide important clues for the discovery of potent noncovalent EGFRT790M/L858R inhibitors.

JAK3 inhibitors based on thieno[3,2-d]pyrimidine scaffold: design, synthesis and bioactivity evaluation for the treatment of B-cell lymphoma

Chi, Fuyun,Chen, Lixue,Wang, Changyuan,Li, Lei,Sun, Xiuli,Xu, Youjun,Ma, Tengyue,Liu, Kexin,Ma, Xiaodong,Shu, Xiaohong

, (2020/01/08)

JAK3 is predominantly expressed in hematopoietic cells and has been a promising therapeutic target for the treatment of B-cell lymphoma. In this study, a new class of thieno[3,2-d]pyrimidines harboring acrylamide pharmacophore were synthesized as potent covalent JAK3 inhibitors (IC50 50 values of 1.9 nM and 1.8 nM, respectively. Furthermore, compared with the reference agents, Spebrutinib and Ibrutinib, 9a not only demonstrated enhanced antiproliferative activity against B lymphoma cells, but also showed very weak proliferative inhibition against normal peripheral blood mononuclear cells (PBMCs) at a concentration of 20 μM. Analysis of the mechanism revealed that 9a could induce the obvious apoptosis in B lymphoma cells and prevent JAK3-STAT3 cascade as well as BTK pathway. Taken together, 9a may be served as a potential new JAK3 inhibitor for the treatment of B-cell lymphoma.

Structure-based modification of carbonyl-diphenylpyrimidines (Car-DPPYs) as a novel focal adhesion kinase (FAK) inhibitor against various stubborn cancer cells

Wang, Luhong,Ai, Min,Yu, Jiawen,Jin, Lingling,Wang, Changyuan,Liu, Zhihao,Shu, Xiaohong,Tang, Zeyao,Liu, Kexin,Luo, Hui,Guan, Wenshun,Sun, Xiuli,Ma, Xiaodong

, p. 154 - 162 (2019/04/13)

A family of carbonyl-substituted diphenylpyrimidine derivatives (Car-DPPYs) with strong activity against focal adhesion kinase (FAK), were described in this manuscript. Among them, compounds 7a (IC50 = 5.17 nM) and 7f (IC50 = 2.58 nM) displayed equal anti-FAK enzymatic activity to the lead compound TAE226 (6.79 nM). In particular, compound 7a also exhibited strong antiproliferative activity against several stubborn cancer cells, including AsPC-1 cells (IC50 = 0.105 μM), BxPC-3 cells (IC50 = 0.090 μM), and MCF-7/ADR cells (IC50 = 0.59 μM). Additionally, compound 7a also showed great antitumor efficacy in vivo via aAsPC-1 cancer Xenograft mouse model. The preliminary mechanism study by Western blot analysis revealed that 7a repressed FAK phosphorylation in AsPC cancer cells. Taken together, the results indicate that compound 7a may serve as a promising preclinical candidate for treatment of stubborn cancers.

(E)-3-(Aryl(arylamino)methylene)indolin-2-one derivatives: An efficient synthetic approach and evaluation of their cancer inhibitory activity

Jiang, Hongwu,Feng, Zhiyuan,Chen, Taiping,Li, Zicheng,Huang, Wencai,Luo, Youfu,Zhao, Yinglan

, p. 44 - 49 (2018/02/28)

A series of (E)-3-(aryl(arylamino)methylene)indolin-2-one derivatives were synthesised using an efficient synthetic approach. The method involved reaction of 3-bromo-3-(bromo(aryl)methyl)indolin-2-one with substituted anilines through nucleophilic substitution and a simultaneous elimination using NaHCO3 in DMF. The anticancer activity of the products against four cell lines, HCT-116, A549, SKOV3 and MDA-MB-231, was also evaluated, and several compounds showed moderate inhibitory activity.

Identification of highly potent BTK and JAK3 dual inhibitors with improved activity for the treatment of B-cell lymphoma

Ge, Yang,Wang, Changyuan,Song, Shijie,Huang, Jiaxin,Liu, Zhihao,Li, Yongming,Meng, Qiang,Zhang, Jianbin,Yao, Jihong,Liu, Kexin,Ma, Xiaodong,Sun, Xiuli

, p. 1847 - 1857 (2017/12/04)

The BTK and JAK3 receptor tyrosine kinases are two validated and therapeutically amenable targets in the treatment of B-cell lymphomas. Here we report the identification of several classes of pyrimidine derivatives as potent BTK and JAK3 dual inhibitors.

Synthesis and biological evaluation of morpholine-substituted diphenylpyrimidine derivatives (Mor-DPPYs) as potent EGFR T790M inhibitors with improved activity toward the gefitinib-resistant non-small cell lung cancers (NSCLC)

Song, Zhendong,Huang, Shanshan,Yu, Haiqing,Jiang, Yu,Wang, Changyuan,Meng, Qiang,Shu, Xiaohong,Sun, Hunjun,Liu, Kexin,Li, Yanxia,Ma, Xiaodong

, p. 329 - 339 (2017/04/11)

Potential new EGFRT790M inhibitors comprised of structurally modified diphenylpyrimidine derivatives bearing a morpholine functionality (Mor-DPPYs) were used to improve the activity and selectivity of gefitinib-resistant non-small cell lung cancer (NSCLC) treatment. This led to the identification of inhibitor 10c, which displayed high activity against EGFRT790M/L858R kinase (IC50?=?0.71?nM) and repressed H1975?cell replication harboring EGFRT790M mutations at a concentration of 0.037?μM. Inhibitor 10c demonstrated high selectivity (SI?=?631.9) for T790M-containing EGFR mutants over wild type EGFR, suggesting that it will cause less side effects. Moreover, this compound also shows promising antitumor efficacy in a murine EGFRT790M/L858R-driven H1975 xenograft model without affecting body weight. This study provides new potential lead compounds for further development of anti-NSCLC drugs.

Synthesis of Some New 3-Methoxy-4-acylaminophenylisothiocyanates, 4'-Isothiocyanatophenoxyacetamides/Isobutyramides as Possible Anthelmintic Agents

Shridhar, D. R.,Rao, K. Srinivasa,Singh, A. N.,Rastogi, K.,Jain, M. L.

, p. 1277 - 1280 (2007/10/02)

A number of new 3-methoxy-4-acylaminophenylisothiocyanates (II and III), 4'-isothiocyanatophenoxyacetamides (IV) and 4-isothiocyanatophenoxyisobutyramides (V) have been synthesized and tested for anthelmintic, antiamoebic and antitrichomonal activities.

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