6-羧基吲哚酮 | 334952-09-9

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 6-羧基吲哚酮
• 中文别名: 2-氧代吲哚啉-6-甲酸；6-羧基吲哚-2-酮
• 英文名称: 2-oxoindoline-6-carboxylic acid
• 英文别名: 2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid；6-Carboxyoxindole；2-oxo-1,3-dihydroindole-6-carboxylic acid
• CAS: 334952-09-9
• 化学式: C₉H₇NO₃
• mdl: MFCD01415801
• 分子量: 177.159
• InChiKey: IIKVTJWRBSYRSA-UHFFFAOYSA-N

物化性质

• 沸点：
  438.1±45.0 °C(Predicted)
• 密度：
  1.433±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933790090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 6-Carboxyoxindole
Oxindole-6-carboxylic acid; 6-oxindolecarboxylic acid; 2,3-Dihydro-2-oxo-1H-indole-6-carboxylic
Synonyms:
acid

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H319: Causes serious eye irritation
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

---

Section 3. Composition/information on ingredients.
Ingredient name: 6-Carboxyoxindole
334952-09-9
CAS number:

---

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

---

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

---

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

---

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage: Store in closed vessels.

---

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C9H7NO3
Molecular weight: 177.2

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  6-羧基吲哚酮 在 氘代甲醇 、 硫酸 作用下， 反应 24.0h， 以75%的产率得到d₃-methyl 2-oxoindoline-6-carboxylate
  参考文献：
  名称：

  OXINDOLE INHIBITORS OF TYROSINE KINASE

  摘要：

  本发明涉及新的酪氨酸激酶的氧吲哚抑制剂，其药物组成物以及使用方法。

  公开号：

  US20150284327A1
• 作为产物：
  描述：

  4-(羧基甲基)-3-硝基苯甲酸 在 ammonium hydroxide 、 iron(II) sulfate 作用下， 生成 6-羧基吲哚酮
  参考文献：
  名称：

  oxindole et de l'isatine的sur quelques derivésde l'oxindole et de l'isatine。三，酸酸性甜菜碱-羧化酶5 et -6

  摘要：

  描述D'UNE SYNTHESESûre距离德拉羧基-6-靛红àpartir杜羧基-6-羟基吲哚，réalisée搜易得顺便帕L'肟，聚赛龙拉德METHODE的Baeyer，搜易得帕oxydation DIRECTE AU中沙德bioxyde日硒。

  DOI：

  10.1002/hlca.19480310525

文献信息

• Multicyclic bis-amide MMP inhibitors
  申请人：Powers Timothy

  公开号：US20060173183A1

  公开（公告）日：2006-08-03

  The present invention relates generally to bis-amide group containing pharmaceutical agents, and in particular, to multicyclic bis-amide MMP-13 inhibitor compounds. More particularly, the present invention provides a new class of MMP-13 inhibiting compounds, containing a pyrimidinyl bis-amide group in combination with a heterocyclic moiety, that exhibit an increased potency and solubility in relation to currently known bis-amide group containing MMP-13 inhibitors.

  本发明总体涉及含有双酰胺基团的药物制剂，特别是多环双酰胺MMP-13抑制剂化合物。更具体地，本发明提供了一类新型的MMP-13抑制化合物，它们含有与杂环部分结合的嘧啶基双酰胺基团，与目前已知含双酰胺基团的MMP-13抑制剂相比，显示出增加的活性和溶解度。
• [EN] ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX
  申请人：ALIOS BIOPHARMA INC

  公开号：WO2015026792A1

  公开（公告）日：2015-02-26

  Disclosed herein are new antiviral compounds, together with pharmaceutical compositions that include one or more antiviral compounds, and methods of synthesizing the same. Also disclosed herein are methods of ameliorating and/or treating a paramyxovirus viral infection with one or more small molecule compounds. Examples of paramyxovirus infection include an infection caused by human respiratory syncytial virus (RSV).

  本文披露了新的抗病毒化合物，以及包括一种或多种抗病毒化合物的药物组合物，以及合成这些化合物的方法。本文还披露了使用一种或多种小分子化合物改善和/或治疗副粘病毒病毒感染的方法。副粘病毒感染的例子包括由人类呼吸道合胞病毒（RSV）引起的感染。
• Indolinone derivatives as protein kinase/phosphatase inhibitors
  申请人：——

  公开号：US20020052369A1

  公开（公告）日：2002-05-02

  The present invention relates to certain 2-indolinone compounds which modulate the activity of protein kinases (“PKs”) and phosphatases. The compounds of this invention are therefore useful in treating disorders related to abnormal PK activity. Pharmaceutical compositions comprising these compounds, methods of treating diseases utilizing pharmaceutical compositions comprising these compounds and methods of preparing them are also disclosed.

  本发明涉及调节蛋白激酶（“PKs”）和磷酸酶活性的某些2-吲哚酮化合物。因此，本发明的化合物在治疗与异常PK活性相关的疾病方面是有用的。还公开了包含这些化合物的药物组合物、利用包含这些化合物的药物组合物治疗疾病的方法以及制备它们的方法。
• THIAZOLOPYRIMIDINE COMPOUNDS
  申请人：Hermann Johannes Cornelius

  公开号：US20120252777A1

  公开（公告）日：2012-10-04

  The present invention relates to the use of novel pyrrolopyrazine derivatives of formula I: wherein all variable substituents are defined as described herein, which are SYK inhibitors and are useful for the treatment of auto-immune and inflammatory diseases.

  本发明涉及使用以下公式I的新型吡咯并吡嗪衍生物： 其中所有可变取代基均如本文所述定义，这些衍生物是SYK抑制剂，可用于治疗自身免疫性和炎症性疾病。
• Combination therapy for the treatment of cancer
  申请人：Pharmacia Corporation

  公开号：US20030216410A1

  公开（公告）日：2003-11-20

  The present invention relates to methods for treatment or prevention of neoplasia disorders using protein tyrosine kinase inhibitors in combination with cyclooxygenase inhibitors, in particular cyclooxygenase-2 selective inhibitors.

  本发明涉及使用蛋白酪氨酸激酶抑制剂与环氧合酶抑制剂，特别是环氧合酶-2选择性抑制剂，联合治疗或预防肿瘤性疾病的方法。