(E)-ethyl 2-(6-(ethylamino)-3-(ethylimino)-2,7,-dimethyl-3H-xanthene-9-yl)benzoate | 3373-01-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (E)-ethyl 2-(6-(ethylamino)-3-(ethylimino)-2,7,-dimethyl-3H-xanthene-9-yl)benzoate
• 英文别名: rhodamine 6G；Rhodamin 6G；ethyl 2-[(6E)-3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate
• CAS: 3373-01-1
• 化学式: C₂₈H₃₀N₂O₃
• 分子量: 442.558
• InChiKey: IWWWBRIIGAXLCJ-BGABXYSRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.35
• 重原子数：
  33.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  63.83
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (E)-ethyl 2-(6-(ethylamino)-3-(ethylimino)-2,7,-dimethyl-3H-xanthene-9-yl)benzoate 、 三乙烯四胺 以 乙醇 为溶剂， 反应 3.0h， 以49.9 mg的产率得到2-(2-((2-((2-aminoethyl)amino)ethyl)amino)ethyl)-3',6'-bis(ethylamino)-2',7'-dimethylspiro[isoindoline-1,9'-xanthen]-3-one
  参考文献：
  名称：

  리소좀 내 ATP 선택성 이광자 형광 감지체

  摘要：

  本发明涉及一种新型荧光探针化合物及其制备方法，以及利用其进行细胞或组织单位的成像和定量化的光子或光子荧光显微镜的ATP（三磷酸腺苷）内质体检测系统。根据本发明，荧光探针化合物能够选择性地检测和定量细胞或组织内的ATP，因此，预计本发明的化合物或组合物将在研究包含生物反应或疾病的多种生物体内ATP方面具有实用价值。

  公开号：

  KR101651364B1

文献信息

• LIGHT-DRIVEN ROTARY MOLECULAR MOTORS
  申请人：Bell Thomas W.

  公开号：US20110077394A1

  公开（公告）日：2011-03-31

  Compounds of Formula (1) are disclosed. C b is a carbocyclic or heterocyclic group having an atom within the cyclic structure selected from C, N, Si, and C r and singly bound to A. A is CR, COR, CSR, CNR 2 , CCN, CCONR 2 , CNO 2 , CNNAr, CX′, or N. C r is a chromophore having a substantially planar cyclic structure. The compounds function as nanometer-scale rotary molecular motors powered and controlled by light energy. The design of the molecular motor devices is flexible so that the rotary direction, drive light wavelength, and other physical characteristics can be varied. The compounds can be chemically functionalized to allow it to be integrated into or attached to a variety of structures. The device can be used in applications where mechanical power, positional control, and information encoding are to be generated at the size scale of individual molecules.

  式（1）的化合物已被披露。 C b 是一个具有环结构内选自C、N、Si和C r 的原子的碳环或杂环基团，并与A单键相连。A是CR、COR、CSR、CNR 2 、CCN、CCONR 2 、CNO 2 、CNNAr、CX′或N。C r 是具有基本平面环结构的色团。这些化合物作为受光能驱动和控制的纳米尺度旋转分子马达。分子马达装置的设计灵活，使得旋转方向、驱动光波长和其他物理特性可以变化。这些化合物可以在化学上官能化，以使其能够集成到或附着到各种结构中。该装置可用于需要在单个分子尺度上产生机械动力、位置控制和信息编码的应用中。
• [EN] MOFEZOLAC DERIVATIVES AS MULTI-FUNCTIONS SELECTIVE COX-1 INHIBITORS<br/>[FR] DÉRIVÉS DE MOFÉZOLAC EN TANT QU'INHIBITEURS SÉLECTIFS À FONCTIONS MULTIPLES DE COX-1
  申请人：UNIVERSITA' DEGLI STUDI DI BARI ALDO MORO

  公开号：WO2017187352A1

  公开（公告）日：2017-11-02

  The invention relates to a new class of compounds of formula (I) targeting COX-1. The invention also relates to the use of some of such compounds as a tool to investigate the structure and function of the enzyme, in the treatment targeting COX-1 or detection of COX-1 in relating disorders or diseases such as cancer and neuroinflammation, in particular in neurological (e.g. autism spectrum disorders) and neurodegenerative diseases (e.g. Alzheimer's diseases, Parkinson's diseases, amyotrophic lateral sclerosis (ALS), multiple sclerosis (MS), traumatic brain injury (TBI), HIV dementia and prion diseases), and in gynecological tumour (e.g. ovarian cancer), neck and head tumor, and haematological tumours (e.g. multiple myeloma) and in the detection of COX-1 in "in vitro" (cells and tissues) and in "in vivo".

  本发明涉及一类新的化合物，其化学式为（I），用于靶向COX-1。本发明还涉及使用其中一些化合物作为研究该酶的结构和功能的工具，在治疗靶向COX-1或检测与癌症和神经炎症等相关的疾病或疾病中的COX-1，特别是在神经学（例如自闭症谱系障碍）和神经退行性疾病（例如阿尔茨海默病，帕金森病，肌萎缩性侧索硬化症（ALS），多发性硬化症（MS），创伤性脑损伤（TBI），HIV痴呆和朊病）以及妇科肿瘤（例如卵巢癌），颈部和头部肿瘤和血液系统肿瘤（例如多发性骨髓瘤）和检测“体外”（细胞和组织）和“体内”的COX-1。
• COLORED COMPOSITION
  申请人：WAKO PURE CHEMICAL INDUSTRIES, LTD.

  公开号：US20160040013A1

  公开（公告）日：2016-02-11

  The present invention is to provide a colored composition having higher heat resistance compared with conventional colored compositions. The present invention further relates to: “a polymer having a monomer unit derived from a monomer which has (i) a cationic rhodamine derivative having, as an counter anion, an anion including an aryl group having an electron-withdrawing substituent and an anion group and (ii) an ethylenically unsaturated bond”, “a monomer which has (i) a cationic rhodamine derivative having, as an counter anion, an anion including an aryl group having an electron-withdrawing substituent and an anion group and (ii) an ethylenically unsaturated bond”, “a colored composition comprising the above-described polymer or the monomer”, and “a colored composition for a color filter comprising the above-described polymer or the monomer”.

  本发明提供了一种具有比传统彩色组合更高耐热性的彩色组合。本发明还涉及：“具有源自具有（i）带有阴离子的阳离子罗丹明衍生物，所述阴离子包括具有电子吸引取代基的芳基和阴离子基团以及（ii）烯丙基不饱和键的单体单体单元的聚合物”，“具有（i）带有阴离子的阳离子罗丹明衍生物，所述阴离子包括具有电子吸引取代基的芳基和阴离子基团以及（ii）烯丙基不饱和键的单体单体单元的单体”，“包括上述聚合物或单体的彩色组合”，以及“用于彩色滤光片的彩色组合，包括上述聚合物或单体”。
• RHODAMINE-BASED COLORING COMPOSITION
  申请人：WAKO PURE CHEMICAL INDUSTRIES, LTD.

  公开号：US20170145216A1

  公开（公告）日：2017-05-25

  A colored resin composition using a conventional rhodamine derivative has not provided heat resistance in a practical range. Therefore, it is an object of the present invention to provide a coloring composition having higher heat resistance as compared with the conventional coloring composition. The present invention relates to a compound represented by the following general formula (1), and a polymer having a monomer unit derived from the compound, and the like. (wherein R 1 to R 4 each independently represent a hydrogen atom, an alkyl group, and the like; R 7 represents a hydrogen atom or a methyl group; R 8 and R 9 each independently represent a hydrogen atom or an alkyl group; Y represents a nitrogen atom or a group represented by the following formula (1-1): A 1 represents an alkylene group which has at least one group selected from —O—, —OCO—, —COO—, —NHCO—, —CONH—, —NHCONH— and an arylene group in the chain, and the like; A 2 represents —NH— or —O—; An − represents an anion containing an aryl group having an electron-withdrawing substituent, and the like; n represents an integer of 0 to 3; R 8 and R 9 may form a cyclic structure of a 5 to 6 membered ring together with —N—(CH 2 ) n —Y— bonding thereto.)

  使用传统的罗丹明衍生物的有色树脂组合物在实际范围内未提供耐热性。因此，本发明的目的是提供一种比传统着色组合物具有更高耐热性的着色组合物。本发明涉及由以下通式（1）所代表的化合物，以及具有源自该化合物的单体单位的聚合物等。（其中R1至R4分别独立地代表氢原子、烷基基团等；R7代表氢原子或甲基基团；R8和R9分别独立地代表氢原子或烷基基团；Y代表氮原子或由以下式（1-1）所代表的基团：A1代表在链中至少具有一种从—O—，—OCO—，—COO—，—NHCO—，—CONH—，—NHCONH—和芳基基团中选择的基团的亚烷基基团等；A2代表—NH—或—O—；An−代表含有具有电子吸引取代基的芳基团的阴离子等；n表示0至3的整数；R8和R9可以与结合其的—N—（CH2）n—Y—共同形成5至6元环的环状结构。）
• Optical Element for Correcting Color Blindness
  申请人：Harding Brett T.

  公开号：US20130032758A1

  公开（公告）日：2013-02-07

  Described herein are devices, compositions, and methods for improving color discernment.

  本文描述了用于改善色彩辨识的设备、组合物和方法。