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2-苯基-苯并噻唑-6-胺 | 6392-97-8

中文名称
2-苯基-苯并噻唑-6-胺
中文别名
——
英文名称
6-Amino-2-phenyl-benzothiazol
英文别名
2-phenylbenzo[d]thiazole-6-amine;2-Phenyl-benzothiazol-6-ylamine;2-phenyl-1,3-benzothiazol-6-amine
2-苯基-苯并噻唑-6-胺化学式
CAS
6392-97-8
化学式
C13H10N2S
mdl
——
分子量
226.302
InChiKey
KRLJYUSJAVJLTM-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    206-207 °C
  • 沸点:
    430.9±37.0 °C(Predicted)
  • 密度:
    1.301±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    3.6
  • 重原子数:
    16
  • 可旋转键数:
    1
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    67.2
  • 氢给体数:
    1
  • 氢受体数:
    3

安全信息

  • 海关编码:
    2934999090
  • 危险性防范说明:
    P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
  • 危险性描述:
    H302,H312,H315,H319,H332,H335

SDS

SDS:4e385c61f2c39ec59e2c9befb3aa2c10
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上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Design, synthesis and structure–activity relationship of rhenium 2-arylbenzothiazoles as β-amyloid plaque binding agents
    摘要:
    To continue our efforts toward the development of Tc-99m PiB analogs, we have synthesized 24 neutral and lipophilic Re (as a surrogate of Tc-99m) 2-arylbenzothiazoles, and explored their structure-activity relationship for binding to A beta(1-40) fibrils. These Re complexes were designed and synthesized via the integrated approach, so their 99mTc analogs would have a greater chance of crossing the blood-brain barrier. While the lipophilicities (logP(C18) = 1.59-3.53) of these Re 2-arylbenzothiazoles were all within suitable range, their binding affinities (K-i = 30-617 nM) to A beta(1-40) fibrils varied widely depending on the selection and integration of the tetradentate chelator into the 2-phenylbenzothiazole pharmacophore. For potential clinical applications, further refinement to obtain Re 2-arylbenzothiazoles with better binding affinities (<10 nM) will likely be needed. The integrated approach reported here to generate compact, neutral and lipophilic Re 2-arylbenzothiazoles could be applied to other potent pharmacophores as well to convert other current Ab PET tracers to their Tc-99m analogs for more widespread application via the use of SPECT scanners. (C) 2013 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2013.01.068
  • 作为产物:
    描述:
    6-硝基-2-苯基苯并噻唑盐酸铁粉 作用下, 以 乙醇 为溶剂, 以40%的产率得到2-苯基-苯并噻唑-6-胺
    参考文献:
    名称:
    新型多恶唑苯并恶唑酮/苯并噻唑酮衍生物的设计,合成和生物学评价
    摘要:
    在这项研究中,设计,合成和评估了具有苯并恶唑酮和苯并噻唑酮核心的四个系列化合物,作为对抗阿尔茨海默氏病(AD)的多功能药物。另外,为了阐明苯并恶唑酮/苯并噻唑酮的羰基的作用,还合成并评价了含苯并恶唑/苯并噻唑的类似物。测试了所有最终化合物对胆碱酯酶的抑制能力及其抗氧化活性。随后,还对所选化合物进行了抗炎活性,细胞毒性,细胞凋亡和Aβ聚集抑制试验。结果表明,化合物11c,具有苯并噻唑酮核心的戊酰胺衍生物和14b,具有苯并噻唑酮核心的酮衍生物,被认为是有希望的针对AD的进一步研究的多功能药物。还对具有最高AChE 14b(ee AChE IC 50  = 0.34μM,hu AChE IC 50  = 0.46μM)和BChE 11c(eq BChE IC 50  = 2.98μM,hu BChE )的化合物进行了可逆性,动力学和分子对接研究IC 50  = 2.56μM)抑制活性。
    DOI:
    10.1016/j.ejmech.2020.113124
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文献信息

  • 말단 아민기에 아릴 또는 헤테로아릴기가 치환된 신규한 히드라존 유도체 및 이의 용도
    申请人:KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 한국과학기술연구원(319980077518) BRN ▼209-82-03522
    公开号:KR20200076655A
    公开(公告)日:2020-06-29
    본 발명은 말단 아민기에 아릴 또는 헤테로아릴기가 치환된 신규한 히드라존 유도체(hydrazone derivatives) 및 이의 용도에 관한 것이다.
    这项发明涉及末端氨基被芳基或杂芳基取代的新的腙衍生物(hydrazone derivatives)及其用途。
  • Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production
    申请人:Makovec Francesco
    公开号:US20050197331A1
    公开(公告)日:2005-09-08
    Heterocyclic amidines with anti-inflammatory and analgesic activity that inhibit nitrogen oxide production, of formula (I): in which: G 1 and G 2 are hydrogen, halogen, hydroxyl, C 1 -C 4 alkoxy, C 1 -C 4 alkyl, and an amidino substituent of formula Q, provided that, for each compound of formula (I), only one of the two substituents G 1 or G 2 is an amidino substituent of formula Q: and in which the substituents W, Y and X are combined to form 9- or 10-membered bicyclic heteroaromatic derivatives containing up to 2 hetero atoms in the same ring; and Z is an aryl or heteroaryl group, a linear or branched C 1 -C 6 alkyl or alkenyl chain, a C 1 -C 4 alkyl-aryl group or a C 1 -C 4 alkyl-heteroaryl group.
    含有抗炎和镇痛活性、抑制氮氧化物产生的杂环胺基化合物,化学式(I)如下:其中:G1和G2为氢、卤素、羟基、C1-C4烷氧基、C1-C4烷基和式为Q的胺基取代基,但对于化合物的每个化学式(I),G1或G2中仅有一个是式为Q的胺基取代基;其中取代基W、Y和X结合形成含有最多2个杂原子的同一环中的9-或10-成员双环杂芳衍生物;Z为芳基或杂芳基团、线性或支链状的C1-C6烷基或烯基链、C1-C4烷基-芳基团或C1-C4烷基-杂芳基团。
  • Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production
    申请人:MAKOVEC Francesco
    公开号:US20100120802A1
    公开(公告)日:2010-05-13
    Heterocyclic amidines with anti-inflammatory and analgesic activity that inhibit nitrogen oxide production, of formula (I): in which: G 1 and G 2 are hydrogen, halogen, hydroxyl, C 1 -C 4 alkoxy, C 1 -C 4 alkyl, and an amidino substituent of formula Q, provided that, for each compound of formula (I), only one of the two substituents G 1 or G 2 is an amidino substituent of formula Q: and in which the substituents W, Y and X are combined to form 9- or 10-membered bicyclic heteroaromatic derivatives containing up to 2 hetero atoms in the same ring; and Z is an aryl or heteroaryl group, a linear or branched C 1 -C 6 alkyl or alkenyl chain, a C 1 -C 4 alkyl-aryl group or a C 1 -C 4 alkyl-heteroaryl group.
    具有抗炎和镇痛活性,能够抑制氮氧化物产生的杂环胺基化合物,化学式为(I):其中:G1和G2是氢,卤素,羟基,C1-C4烷氧基,C1-C4烷基和公式Q的氨基甲基取代基,只有公式(I)中的两个取代基G1或G2中的一个是公式Q的氨基甲基取代基;其中取代基W,Y和X组合形成含有最多2个杂原子的9-或10成员双环杂芳基衍生物;Z是芳基或杂芳基基团,线性或分支的C1-C6烷基或烯基链,C1-C4烷基芳基基团或C1-C4烷基杂芳基基团。
  • Anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production
    申请人:Rottapharm S.p.A.
    公开号:US07674809B2
    公开(公告)日:2010-03-09
    Heterocyclic amidines with anti-inflammatory and analgesic activity that inhibit nitrogen oxide production, of formula (I): in which: G1 and G2 are hydrogen, halogen, hydroxyl, C1-C4 alkoxy, C1-C4 alkyl, and an amidino substituent of formula Q, provided that, for each compound of formula (I), only one of the two substituents G1 or G2 is an amidino substituent of formula Q: and in which the substituents W, Y and X are combined to form 9- or 10-membered bicyclic heteroaromatic derivatives containing up to 2 hetero atoms in the same ring; and Z is an aryl or heteroaryl group, a linear or branched C1-C6 alkyl or alkenyl chain, a C1-C4 alkyl-aryl group or a C1-C4 alkyl-heteroaryl group.
    具有抗炎和镇痛活性,抑制氮氧化物产生的杂环胺基的化合物,化学式(I):其中:G1和G2是氢,卤素,羟基,C1-C4烷氧基,C1-C4烷基和式Q的胺基取代基,条件是对于化合物(I)中的每个化合物,只有G1或G2中的一个取代基是式Q的胺基取代基;其中取代基W,Y和X组合形成含有最多2个杂原子的9-或10成员双环杂芳衍生物;并且Z是芳基或杂芳基团,线性或支链C1-C6烷基或烯基链,C1-C4烷基芳基基团或C1-C4烷基杂芳基基团。
  • NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF
    申请人:Korea Institute of Science and Technology
    公开号:EP3901139A1
    公开(公告)日:2021-10-27
    The present invention relates to novel hydrazone derivatives in which a terminal amine group is substituted with an aryl group or a heteroaryl group, and uses thereof.
    本发明涉及末端胺基被芳基或杂芳基取代的新型腙衍生物及其用途。
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同类化合物

(1Z)-1-(3-乙基-5-羟基-2(3H)-苯并噻唑基)-2-丙酮 齐拉西酮砜 阳离子蓝NBLH 阳离子荧光黄4GL 锂2-(4-氨基苯基)-5-甲基-1,3-苯并噻唑-7-磺酸酯 铜酸盐(4-),[2-[2-[[2-[3-[[4-氯-6-[乙基[4-[[2-(硫代氧代)乙基]磺酰]苯基]氨基]-1,3,5-三嗪-2-基]氨基]-2-(羟基-kO)-5-硫代苯基]二氮烯基-kN2]苯基甲基]二氮烯基-kN1]-4-硫代苯酸根(6-)-kO]-,(1:4)氢,(SP-4-3)- 铜羟基氟化物 钾2-(4-氨基苯基)-5-甲基-1,3-苯并噻唑-7-磺酸酯 钠3-(2-{(Z)-[3-(3-磺酸丙基)-1,3-苯并噻唑-2(3H)-亚基]甲基}[1]苯并噻吩并[2,3-d][1,3]噻唑-3-鎓-3-基)-1-丙烷磺酸酯 邻氯苯骈噻唑酮 西贝奈迪 螺[3H-1,3-苯并噻唑-2,1'-环戊烷] 螺[3H-1,3-苯并噻唑-2,1'-环己烷] 葡萄属英A 草酸;N-[1-[4-(2-苯基乙基)哌嗪-1-基]丙-2-基]-2-丙-2-基氧基-1,3-苯并噻唑-6-胺 苯酰胺,N-2-苯并噻唑基-4-(苯基甲氧基)- 苯酚,3-[[2-(三苯代甲基)-2H-四唑-5-基]甲基]- 苯胺,N-(3-苯基-2(3H)-苯并噻唑亚基)- 苯碳杂氧杂脒,N-1,2-苯并异噻唑-3-基- 苯甲基2-甲基哌啶-1,2-二羧酸酯 苯并噻唑正离子,2-[3-(1,3-二氢-1,3,3-三甲基-2H-吲哚-2-亚基)-1-丙烯-1-基]-3-乙基-,碘化(1:1) 苯并噻唑正离子,2-[(2-乙氧基-2-羰基乙基)硫代]-3-甲基-,溴化 苯并噻唑啉 苯并噻唑-d4 苯并噻唑-6-腈 苯并噻唑-5-羧酸 苯并噻唑-5-硼酸频哪醇酯 苯并噻唑-4-醛 苯并噻唑-4-乙酸 苯并噻唑-2-磺酸钠 苯并噻唑-2-磺酸 苯并噻唑-2-磺酰氟 苯并噻唑-2-甲醛 苯并噻唑-2-甲酸 苯并噻唑-2-甲基甲胺 苯并噻唑-2-基磺酰氯 苯并噻唑-2-基叠氮化物 苯并噻唑-2-基-邻甲苯-胺 苯并噻唑-2-基-己基-胺 苯并噻唑-2-基-(4-氯-苯基)-胺 苯并噻唑-2-基-(4-氟-苯基)-胺 苯并噻唑-2-基-(4-乙氧基-苯基)-胺 苯并噻唑-2-基-(2-甲氧基-苯基)-胺 苯并噻唑-2-基-(2,6-二甲基-苯基)-胺 苯并噻唑-2-基(对甲苯基)甲醇 苯并噻唑-2-乙酸甲酯 苯并噻唑-2-乙腈 苯并噻唑-2(3H)-酮N2-[1-(吡啶-4-基)乙亚基]腙 苯并噻唑-2 - 丙基 苯并噻唑,6-(3-乙基-2-三氮烯基)-2-甲基-(8CI)