色酚AS bi | 1237-75-8

• 物质功能分类: 化学试剂 - 有机试剂 - 多环化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 色酚AS bi
• 中文别名: 色酚ASbi；N-(2,3-二氢-2-氧代-1H-苯并咪唑-5-基)-3-羟基-2-萘甲酰胺；色酚AS-BI；N-(2,3-二氢-2-氧代-1H-苯并咪唑-5-基)-3-羟基-2-萘甲酰胺(萘酚AS-BI)；5-(3'-羟基-2'-萘甲酰氨基)苯并咪唑酮；色酚 AS-BI
• 英文名称: 7-bromo-3-hydroxy-2-naphth-o-amisidide
• 英文别名: naphthol AS BI；naphthol AS-BI；7-bromo-3-hydroxy-[2]naphthoic acid o-anisidide；7-Brom-3-hydroxy-[2]naphthoesaeure-o-anisidid；6-bromo-2-hydroxy-N-o-hydroxyphenylnaphthalene-3-carboxamide；7-bromo-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
• CAS: 1237-75-8
• 化学式: C₁₈H₁₄BrNO₃
• mdl: MFCD00004077
• 分子量: 372.218
• InChiKey: JIEINYQEXWLMCU-UHFFFAOYSA-N

物化性质

• 沸点：
  467.3±40.0 °C(Predicted)
• 密度：
  1.544±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  在常温常压下保持稳定

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.055
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn,Xi
• WGK Germany：
  3
• RTECS号：
  ZG3417500
• 海关编码：
  2924299090
• 危险类别：
  6.1
• 安全说明：
  S26,S37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 包装等级：
  III
• 危险品运输编号：
  UN3288
• 储存条件：
  本品应在0℃以下密封保存。

制备方法与用途

用途：用于合成颜料红、颜料紫等染料。

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
  ——	Naphtol AS-BI-β-D-glucoronide	——	C24H22BrNO9	548.344

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	methyl 2-{6-bromo-3-[N-(2-methoxyphenyl)carbamoyl]-2-naphthyloxy}acetate	364372-01-0	C21H18BrNO5	444.282
  ——	methyl 2-{6-cyano-3-[N-(2-methoxyphenyl)carbamoyl]-2-naphthyloxy}acetate	——	C22H18N2O5	390.395

反应信息

• 作为反应物：
  描述：

  色酚AS bi 在 sodium methylate 、 氰化汞 作用下， 以 甲醇 、 硝基甲烷 为溶剂， 反应 15.0h， 生成 7-bromo-3-(α-D-mannopyranosyloxy)-2-naphth-o-anisidide
  参考文献：
  名称：

  Systhesis of 7-bromo-3-(α-d-mannopyranosyloxy)-2-napth-o-anisidide, a d-mannosyl derivative of naphthol AS-BI

  摘要：

  DOI：

  10.1016/s0008-6215(00)85262-3
• 作为产物：
  描述：

  3-羟基-7-溴-2-萘甲酸 、 邻甲氧基苯胺 生成 色酚AS bi
  参考文献：
  名称：

  DE396519

  摘要：

  公开号：

文献信息

• General but Discriminating Fluorescent Chemosensor for Aliphatic Amines
  作者：Gang Lu、Jonathan E. Grossman、Joseph B. Lambert

  DOI：10.1021/jo0518405

  日期：2006.3.1

  Aliphatic amines are sensitively and discriminatively detected through binding with demethylated naphthol AS-BI (7-bromo-3-hydroxy-2-naphth-o-hydroxyanilide, 2) and fluorescence of the resulting complex. Recognition of the amine by the chemosensor 2 occurs via proton transfer of the naphtholic proton to the amine and is facilitated by the presence of the phenol group. Amine basicity is the primary

  脂族胺是灵敏和区别地通过与脱甲基化的萘酚AS-BI（7-溴-3-羟基-2-萘并结合来检测Ô -hydroxyanilide，2），将所得复合物的荧光。化学传感器2对胺的识别是通过萘基质子向胺的质子转移而发生的，并且由于存在酚基而变得容易。胺的碱性是检测的主要控制者。未检测到碱性弱的芳香族和共轭胺，例如吡啶和苯胺。配合物中的氢键可进一步区分脂肪族胺。构型灵活的二元伯胺对检测最敏感，其次是仲胺。
• 6-0 substituted ketolides having antibacterial activity
  申请人：ABBOTT LABORATORIES

  公开号：EP1291350A1

  公开（公告）日：2003-03-12

  Antimicrobial compounds having the formula (IV-A) as well as pharmaceutically acceptable salts, esters or prodrugs thereof; pharmaceutical compositions comprising such compounds; methods of treating bacterial infections by the administration of such compounds; and processes for the preparation of the compounds.

  具有式（IV-A）的抗菌化合物及其药学上可接受的盐、酯或原药；包含此类化合物的药物组合物；通过施用此类化合物治疗细菌感染的方法；以及制备此类化合物的工艺。
• Method of making trabecular bone
  申请人：University of Pittsburgh—Of the Commonwealth System of Higher Education

  公开号：US11060060B2

  公开（公告）日：2021-07-13

  Provided herein are methods of producing trabecular bone material, such as trabecular bone or trabecular bone matrix and cells useful in preparing the trabecular bone material.

  本文提供了生产骨小梁材料（如骨小梁或骨小梁基质）的方法，以及用于制备骨小梁材料的细胞。
• Utilization of a Peptide Lead for the Discovery of a Novel PTP1B-Binding Motif
  作者：Yang Gao、Johannes Voigt、He Zhao、Godwin C. G. Pais、Xuechun Zhang、Li Wu、Zhong-Yin Zhang、Terrence R. Burke

  DOI：10.1021/jm010020r

  日期：2001.8.1

  Examination of the PTP1B inhibitory potency of an extensive series of phosphotyrosyl (pTyr) mimetics (Xxx) expressed in the EGFr-derived hexapeptide platform Ac-Asp-Ala-Asp-Xxx-Leu-amide previously led to the finding of high inhibitory potency when Xxx = 4-(phosphono-difluoromethyl)phenylalanyl (F(2)Pmp) (K-i = 0.2 muM) and when Xxx = 3-carboxy-4-carboxy-methyloxyphenylalanyl (K-i = 3.6 muM). In the first instance, further work led from the F(2)Pmp-containing peptide to monomeric inhibitor, 6-(phosphonodifluoromethyl)-2-naphthoic acid (Ki = 22 muM), and to the pseudo-dipeptide mimetic, N-[6-(phosphonodifluoromethyl)-2-naphthoyl]-glutamic acid (K-i = 12 muM). In the current study, a similar approach was applied to the 3-carboxy-4-carboxymethyloxyphenylalanyl-containing peptide, which led to the preparation of monomeric 5-carboxy-6-carboxymethyloxy-2-naphthoic acid (K-i = 900 muM). However, contrary to expectations based on the aforementioned F(2)Pmp work, incorporation of this putative pTyr mimetic into the pseudo-dipeptide, N-[5-carboxy-6-carboxymethyloxy-2-naphthoyl]-glutamic acid, resulted in a substantial loss of binding affinity. A reevaluation of binding orientation for 5-carboxy-6-carboxymethyloxy-2-naphthoic acid was therefore undertaken, which indicated a 180 degrees reversal of the binding orientation within the PTP1B catalytic site. In the new orientation, the naphthyl 2-carboxyl group, and not the o-carboxy carboxymethyloxy groups, mimics a phosphoryl group. Indeed, when 5-carboxy-2-naphthoic acid itself was examined at neutral pH for inhibitory potency, it was found to have K-i = 31 +/- 7 muM, which is lower than parent 5-carboxy-6-carboxymethyloxy-2-naphthoic acid. In this fashion, 5-carboxy-2-naphthoic acid (or more appropriately, 6-carboxy-1-naphthoic acid) has been identified as a novel PTP1B binding motif.
• Ogushi, Susumu; Koga, Satoshi; Ito, Kiyoshi, Agricultural and Biological Chemistry, 1986, vol. 50, # 12, p. 3093 - 3100
  作者：Ogushi, Susumu、Koga, Satoshi、Ito, Kiyoshi、Makino, Yasutaka、Ando, Makoto、Tsuru, Daisuke

  DOI：——

  日期：——

表征谱图