3,3-二甲基-6-氨基吲哚啉-2-酮 | 100510-65-4

• 物质功能分类: 医药中间体 - 杂环化合物 - 吲哚类化合物
• 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: 3,3-二甲基-6-氨基吲哚啉-2-酮
• 中文别名: 6-氨基-3,3-二甲基吲哚啉-2-酮
• 英文名称: 6-Amino-3,3-dimethylindolin-2-one
• 英文别名: 6-amino-3,3-dimethyl-1H-indol-2-one
• CAS: 100510-65-4
• 化学式: C₁₀H₁₂N₂O
• mdl: MFCD11053509
• 分子量: 176.218
• InChiKey: IWARVYFPBLDOAK-UHFFFAOYSA-N

物化性质

• 沸点：
  366.6±42.0 °C(Predicted)
• 密度：
  1.161±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-Amino-3,3-dimethylindolin-2-one
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 6-Amino-3,3-dimethylindolin-2-one
CAS number: 100510-65-4

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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.

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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.

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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.

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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.
Store in closed vessels, refrigerated.
Storage:

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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.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C10H12N2O
Molecular weight: 176.2

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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.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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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.

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

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3,3-二甲基-6-氨基吲哚啉-2-酮 在 盐酸 、 硫酸 、 tin(ll) chloride 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 6.25h， 生成 4-Acetylpyridine (1,3-dihydro-3,3-dimethyl-2-oxo-2H-indol-6-yl)hydrazone
  参考文献：
  名称：

  非甾体类强直药物。2.线性三环5-6-5稠合杂环的正性肌力。

  摘要：

  我们之前曾报道过强力和长效强心剂adibendan（1）的构效关系（SAR）。本文介绍了5-6-5型新型线性，三环稠合杂环的合成。评价了该化合物在麻醉的大鼠，猫和狗中的正性肌力活性。测量左心室dP / dt的变化作为心脏收缩力的指标。收缩力的增加不是通过刺激β-肾上腺素受体介导的。数据揭示了该系列的母体化合物5,7-二氢-7,7-二甲基吡咯并[2,3-f]苯并咪唑-6（1H）-one（2）的固有正性变力活性。提出了赋予最佳变力活性的结构特征，并与4,5-二氢-3（2H）-哒嗪酮系列的结构特征进行了比较。在有意识的犬中，用植入的Konigsberg压力传感器对最有效的化合物进行口服评估，以测量心室压力，并将其对左心室dP / dt的作用与1，匹莫苯丹和吲哚利丹的作用进行比较。服用1 mg / kg后，匹莫苯丹和吲哚满的剂量分别为1、3、7、19、22、24、31、54，但只有1,31，匹莫苯丹和吲哚满的作用持续时间超过6小时。

  DOI：

  10.1021/jm00127a015
• 作为产物：
  描述：

  4,4-二甲基异喹啉-1,3(2H,4H)-二酮 在 硫酸 、 palladium 10% on activated carbon 、 水 、 氢气 、 溴 、 硝酸 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 3,3-二甲基-6-氨基吲哚啉-2-酮
  参考文献：
  名称：

  吡唑并嘧啶化合物及制备方法与制备抗癌症药物的应用

  摘要：

  本发明提供了式(I)所示的一类吡唑并嘧啶化合物或其药学可接受的盐及其制备方法和在制备治疗或预防癌症的药物中的应用。该类化合物是PI3K抑制剂，具有优异的抑制活性，有望用于多种恶性肿瘤的治疗。

  公开号：

  CN110950868B

文献信息

• [EN] PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS<br/>[FR] PYRROLOTRIAZINES EN TANT QU'INHIBITEURS D'ALK ET DE JAK2
  申请人：CEPHALON INC

  公开号：WO2010071885A1

  公开（公告）日：2010-06-24

  The present invention provides a compound of formula (I) or a salt form thereof, wherein Q1, Q2, Q3, and Q4 are as defined herein. The compound of formula (I) has ALK and/or JAK2 inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了一种式（I）的化合物或其盐形式，其中Q1、Q2、Q3和Q4如本文所定义。式（I）的化合物具有ALK和/或JAK2抑制活性，并可用于治疗增殖性疾病。
• [EN] FURO[3,2-d]PYRIMIDINE COMPOUNDS<br/>[FR] COMPOSÉS DE FURO[3,2-D]PYRIMIDINE
  申请人：ABBOTT LAB

  公开号：WO2012048222A1

  公开（公告）日：2012-04-12

  The present invention is directed to novel compounds of Formula (I), pharmaceutically acceptable salts, biologically active metabolites, pro-drugs, racemates, enantiomers, diastereomers, solvates and hydrates thereof wherein the variables are defined as herein. The compounds of Formula (I) are useful as kinase inhibitors and as such would be useful in treating certain conditions and diseases, especially inflammatory conditions and diseases and proliferative disorders and conditions, for example, cancers.

  本发明涉及式(I)的新化合物、药用可接受的盐、生物活性代谢物、前药、外消旋混合物、对映异构体、非对映异构体、溶剂合物和水合物，其中变量如本文所述定义。式(I)的化合物作为激酶抑制剂是有用的，因此可用于治疗某些状况和疾病，特别是炎症状况和疾病以及增殖性障碍和状况，例如癌症。
• BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20150148340A1

  公开（公告）日：2015-05-28

  The present application relates to novel bicyclically substituted uracil derivatives, to processes for preparation thereof, to the use thereof alone or in combinations for treatment and/or prophylaxis of diseases, and to the use thereof for production of medicaments for treatment and/or prophylaxis of diseases.

  本申请涉及新颖的双环替代尿嘧啶衍生物，其制备方法，单独或组合使用以治疗和/或预防疾病，以及用于生产治疗和/或预防疾病药物的用途。
• Bicycloheteroarylamine compounds as ion channel ligands and uses thereof
  申请人：Kelly G. Michael

  公开号：US20050277643A1

  公开（公告）日：2005-12-15

  Amine compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.

  抗氨化合物的公开披露，其化学式如下所示： 这些化合物可以制备成药物组合物，并可用于预防和治疗包括人类在内的哺乳动物的各种疾病，例如疼痛、炎症、创伤等。
• Pentacyclic kinase inhibitors
  申请人：Rawson E. Thomas

  公开号：US20070037791A1

  公开（公告）日：2007-02-15

  The invention provides novel kinase inhibitors that are useful as therapeutic agents for example in the treatment malignancies where the compounds have the general formula I wherein A, X, Y, Z, Ra, Rb, Rc, R 1 , R 2 , R 3 and m are defined herein.

  这项发明提供了新型激酶抑制剂，可用作治疗剂，例如用于治疗恶性肿瘤，在该化合物具有一般式I的情况下，其中A、X、Y、Z、Ra、Rb、Rc、R1、R2、R3和m在此处被定义。