N-[4-(2-苯丙噁唑)苯基]顺丁烯二酰亚胺 | 16707-41-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 中文名称: N-[4-(2-苯丙噁唑)苯基]顺丁烯二酰亚胺
• 中文别名: 1-(4-(苯并[d]恶唑-2-基)苯基)-1H-吡咯-2,5-二酮
• 英文名称: N-(4-benzooxazol-2-yl-phenyl)-maleimide
• 英文别名: N-(p-(2-benzoxazolyl)phenyl)maleimide；N-<4-(Benzoxazol-2-yl)-phenyl>-maleinimid；N--maleinimid；N--maleimide；1H-Pyrrole-2,5-dione, 1-[4-(2-benzoxazolyl)phenyl]-；1-[4-(1,3-benzoxazol-2-yl)phenyl]pyrrole-2,5-dione
• CAS: 16707-41-8
• 化学式: C₁₇H₁₀N₂O₃
• mdl: MFCD00047253
• 分子量: 290.278
• InChiKey: BGGCPIFVRJFAKF-UHFFFAOYSA-N

物化性质

• 熔点：
  211-213 °C
• 沸点：
  432.36°C (rough estimate)
• 密度：
  1.2092 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R22
• WGK Germany：
  3
• 海关编码：
  2934999090
• 安全说明：
  S24/25

SDS

Name:	N-[4-(2-Benzoxazolyl)phenyl]maleimide Material Safety Data Sheet
Synonym:	2-(4-Maleimidophenyl)benzoxazole; 1H-Pyrrole-2,5-dione,1-[4-(2-benzoxazolyl)phenyl]
CAS:	16707-41-8

Section 1 - Chemical Product MSDS Name:N-[4-(2-Benzoxazolyl)phenyl]maleimide Material Safety Data Sheet
Synonym:2-(4-Maleimidophenyl)benzoxazole; 1H-Pyrrole-2,5-dione,1-[4-(2-benzoxazolyl)phenyl]

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
16707-41-8	N-[4-(2-Benzoxazolyl)phenyl]maleimide	ca.100	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

---

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

---

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions.
Provide ventilation.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 16707-41-8: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: orange-yellow
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 211.00 - 213.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: slightly soluble
Specific Gravity/Density:
Molecular Formula: C17H10N2O3
Molecular Weight: 290.27

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 16707-41-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-[4-(2-Benzoxazolyl)phenyl]maleimide - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION
Other No information available.

---

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

---

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 16707-41-8: No information available.
Canada
CAS# 16707-41-8 is listed on Canada's NDSL List.
CAS# 16707-41-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16707-41-8 is listed on the TSCA inventory.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  L-半胱氨酸乙酯盐酸盐 、 N-[4-(2-苯丙噁唑)苯基]顺丁烯二酰亚胺 在 三乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 (3R)-6ξ-[(4-benzooxazol-2-yl-phenylcarbamoyl)-methyl]-5-oxo-thiomorpholine-3r-carboxylic acid ethyl ester
  参考文献：
  名称：

  通过掺入荧光团来测量蛋白质的荧光和结构。二。合成马来酰亚胺衍生物作为荧光标记的蛋白质巯基试剂。

  摘要：

  提出了一种利用荧光标记特定试剂研究蛋白质结构和功能的新方法。合成了N-[p-(2-苯并恶唑基)苯基]马来酰亚胺（IIIa）和N-[p-(2-苯并噻唑基)苯基]马来酰亚胺（IIIb）作为此类巯基试剂，并对其与半胱氨酸酯的加成反应进行了研究。此外，使用PPA进行马来酰胺酸的环化证明是一种合成N-取代马来酰亚胺的良好方法。

  DOI：

  10.1248/cpb.15.1738
• 作为产物：
  描述：

  4-苯并噁唑-2-苯胺 在 PPA 作用下， 以 四氢呋喃 为溶剂， 生成 N-[4-(2-苯丙噁唑)苯基]顺丁烯二酰亚胺
  参考文献：
  名称：

  通过掺入荧光团来测量蛋白质的荧光和结构。二。合成马来酰亚胺衍生物作为荧光标记的蛋白质巯基试剂。

  摘要：

  提出了一种利用荧光标记特定试剂研究蛋白质结构和功能的新方法。合成了N-[p-(2-苯并恶唑基)苯基]马来酰亚胺（IIIa）和N-[p-(2-苯并噻唑基)苯基]马来酰亚胺（IIIb）作为此类巯基试剂，并对其与半胱氨酸酯的加成反应进行了研究。此外，使用PPA进行马来酰胺酸的环化证明是一种合成N-取代马来酰亚胺的良好方法。

  DOI：

  10.1248/cpb.15.1738

文献信息

• [EN] TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS<br/>[FR] ADMINISTRATION CIBLÉE D'UN MÉDICAMENT FAISANT APPEL À DES COUPLEURS FONDÉS SUR L'AFFINITÉ
  申请人：INVICTUS ONCOLOGY PVT LTD

  公开号：WO2015148126A1

  公开（公告）日：2015-10-01

  The current invention discloses targeted drug delivery conjugates comprising a targeting moiety linked to a drug via a molecule having an affinity for the targeting moiety. Typically, the conjugate comprises a targeting ligand and a molecule of interest, e.g., a therapeutic agent. The targeting ligand and the molecule of interest are linked to each other via an affinity ligand. The affinity ligand is further covalently or non-covalently linked to a drug or therapeutic agent. The drug can be modified to make it more soluble and so that it cleaves from the linking molecule at the target site.

  当前的发明揭示了包括通过具有与靶向基团亲和力的分子连接到药物的靶向药物传递共轭物。通常，该共轭物包括一个靶向配体和一个感兴趣的分子，例如，一个治疗剂。靶向配体和感兴趣的分子通过一个亲和配体相互连接。该亲和配体进一步以共价或非共价方式连接到药物或治疗剂。药物可以被修改以使其更溶解，并使其在靶点处从连接分子中解离。
• Lipid probes and uses thereof
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US10168342B2

  公开（公告）日：2019-01-01

  Disclosed herein are methods, compositions, probes, assays and kits for identifying a lipid binding protein as a drug binding target. Also disclosed herein are methods, compositions, and probes for mapping a ligand binding site on a lipid binding protein, identification of lipid binding proteins, generating drug-lipid binding protein profiles, high throughput drug screening, and identification of drugs as potential lipid binding protein ligands.

  披露了用于识别脂质结合蛋白作为药物结合靶点的方法、组合物、探针、检测和试剂盒。此外，还披露了用于绘制脂质结合蛋白上的配体结合位点、识别脂质结合蛋白、生成药物-脂质结合蛋白轮廓、高通量药物筛选以及识别作为潜在脂质结合蛋白配体的药物的方法、组合物和探针。
• Construction of a Polyheterocyclic Benzopyran Library with Diverse Core Skeletons through Diversity-Oriented Synthesis Pathway
  作者：Sangmi Oh、Hwan Jong Jang、Sung Kon Ko、Yeonjin Ko、Seung Bum Park

  DOI：10.1021/cc100044w

  日期：2010.7.12

  In this study, a divergent and practical solid-phase parallel diversity-oriented synthesis (DOS) strategy was successfully applied for the construction of five discrete core skeletons embedded with privileged benzopyranyl substructure. The diversity of these core skeletons was expanded through the introduction of various substituents at the R, R(1), and R(2) positions from a single key intermediate

  在这项研究中，发散和实用的固相平行分集定向合成（DOS）策略已成功地应用于构建五个嵌入有特权苯并吡喃基亚结构的离散核骨架。这些核心骨架的多样性通过在五个不同途径中的单个关键中间体在R，R（1）和R（2）位置处引入各种取代基而得到扩展。更重要的是，我们通过使用库到库的概念，通过核心骨架本身的转换来有效地最大化了分子多样性，并创建了具有相同构件的独特小分子集合。构建了一个434个成员的多杂环苯并吡喃文库，规模约为10 mg，具有进一步多样化的潜力。无需进一步纯化，
• Generation of diagnostic tools to assay the human LHX3/P-LIM/LIM-3 factor
  申请人：Indiana University Advanced Research and Technology Institute

  公开号：US20030027152A1

  公开（公告）日：2003-02-06

  The present invention relates to mammalian Lhx3 nucleic acids and proteins encoded thereby. More specifically, the invention discloses novel porcine and human Lhx3 genes and isoforms thereof. The invention further relates to genomic mapping of the human Lhx3 coding region to the subtelomeric region of Chromosome 9. The invention also relates to methods and kits relating to the nucleic and amino acids encoding Lhx3 and uses therefor.

  本发明涉及哺乳动物Lhx3核酸和编码的蛋白质。更具体地，本发明揭示了新的猪和人Lhx3基因及其异构体。本发明还涉及将人类Lhx3编码区的基因组定位到染色体9的亚端区域。本发明还涉及与编码Lhx3的核酸和氨基酸相关的方法和试剂盒及其用途。
• COMPOUNDS, COMPOSITIONS AND METHODS OF USE AGAINST STRESS GRANULES
  申请人：Aquinnah Pharmaceuticals, Inc.

  公开号：US20180305334A1

  公开（公告）日：2018-10-25

  Herein, compounds, compositions and methods for modulating inclusion formation and stress granules in cells related to the onset of neurodegenerative diseases, musculoskeletal diseases, cancer, ophthalmological diseases, and viral infections are described.

  本文描述了与神经退行性疾病、肌肉骨骼疾病、癌症、眼科疾病和病毒感染相关的细胞内包涵体形成和应激颗粒的调节化合物、组合物和方法。