异吲哚啉盐酸盐 | 32372-82-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 中文名称: 异吲哚啉盐酸盐
• 中文别名: 2,3-二氢异吲哚啉盐酸盐；2,3-二氢异吲哚盐酸盐；盐酸异吲哚啉
• 英文名称: isoindoline hydrochloride
• 英文别名: 2,3-dihydroisoindole hydrochloride；2,3-dihydro-1H-isoindol-2-ium;chloride
• CAS: 32372-82-0
• 化学式: C₈H₉N*ClH
• mdl: MFCD03502377
• 分子量: 155.627
• InChiKey: NOVIRODZMIZUPA-UHFFFAOYSA-N

物化性质

• 熔点：
  255-256℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.28
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  12
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存放于惰性气体中，并避免接触湿气（吸湿）。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Isoindoline, HCl
Product Name:
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

---

Section 3. Composition/information on ingredients.
Isoindoline, HCl
Ingredient name:
CAS number: 32372-82-0

---

Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

---

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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H9N.ClH
Molecular weight: 155.6

---

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, hydrogen chloride.

---

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：

  异吲哚啉盐酸盐 在 硫酸 、 硝酸 作用下， 反应 1.42h， 以62.7%的产率得到5-nitroisoindoline hydrosulfate
  参考文献：
  名称：

  [EN] PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS
  [FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2015006754A3
• 作为产物：
  描述：

  邻苯二甲酸亚胺 在 bis(cyclopentadienyl)dihydrozirconium 、 频那醇硼烷 、 盐酸 作用下， 以 乙醚 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 12.0h， 以79%的产率得到异吲哚啉盐酸盐
  参考文献：
  名称：

  一种酰胺化合物还原制备胺类化合物的方法

  摘要：

  本发明涉及一种酰胺化合物还原制备胺类化合物的方法，该方法是指在保护气氛中，将酰胺类化合物或环状酰胺、锆金属催化剂、频哪醇硼烷混合，于室温条件下进行酰胺还原反应，12~48h后通过氯化氢的乙醚溶液后处理，即得胺的盐酸盐化合物。本发明操作简单、成本低且具有良好的官能团耐受性和广泛的底物范围。

  公开号：

  CN112299938A

文献信息

• [EN] CYP11A1 INHIBITORS<br/>[FR] INHIBITEURS DE CYP11A1
  申请人：ORION CORP

  公开号：WO2021229152A1

  公开（公告）日：2021-11-18

  The present invention relates to a compound of formula (I) or (II) wherein R1, R2, R3, R4, R5, R23, R24, R25, R26, R27, L, A and B are as defined in claim 1, or pharmaceutically acceptable salts thereof are disclosed. The compounds of formula (I) or (II) possess utility as cytochrome P450 monooxygenase 11A1 (CYP11A1) inhibitors. The compounds are useful as medicaments in the treatment of steroid receptor, particularly androgen receptor, dependent diseases and conditions, such as prostate cancer.

  本发明涉及一种具有式（I）或（II）的化合物，其中R1、R2、R3、R4、R5、R23、R24、R25、R26、R27、L、A和B如权利要求书中所定义，或其药学上可接受的盐。式（I）或（II）的化合物具有作为细胞色素P450单加氧酶11A1（CYP11A1）抑制剂的效用。这些化合物在治疗类固醇受体，特别是雄激素受体依赖性疾病和症状，如前列腺癌中作为药物是有用的。
• [EN] ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASES ASSOCIATED WITH P13K MODULATION<br/>[FR] INHIBITEURS CHROMÉNONE ALLOSTÉRIQUES DE LA PHOSPHOINOSITIDE 3-KINASE (PI3K) POUR LE TRAITEMENT DE MALADIES ASSOCIÉES À LA MODULATION DE PI3K
  申请人：PETRA PHARMA CORP

  公开号：WO2021202964A1

  公开（公告）日：2021-10-07

  The disclosure relates to compounds of Formula (I) as allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) useful in the treatment of diseases or disorders associated with PI3K modulation, Formula (I), or a prodrug, solvate, enantiomer, stereoisomer, tautomer, or pharmaceutically acceptable salt thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, W, X, Y, s, and Ring A are as described herein.

  该披露涉及到式(I)的化合物，作为磷脂酰肌醇3-激酶（PI3K）的变构色酮抑制剂，在与PI3K调节相关的疾病或紊乱的治疗中有用，式(I)，或其前药、溶剂化合物、对映体、立体异构体、互变异构体或其药学上可接受的盐，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、W、X、Y、s和环A如本文所述。
• [EN] Novel Compounds<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：MISSION THERAPEUTICS LTD

  公开号：WO2017103614A1

  公开（公告）日：2017-06-22

  The present invention relates to novel compounds and methods for the manufacture of inhibitors of deubiquitylating enzymes (DUBs). In particular, the invention relates to the inhibition of ubiquitin C- terminal hydrolase 30 or Ubiquitin Specific Peptidase 30 (USP30). The invention further relates to the use of DUB inhibitors in the treatment of conditions involving mitochondrial dysfunction and cancer. Compounds of the invention include compounds having the formula (I): (I) or a pharmaceutically acceptable salt thereof, wherein R1a, R1b, R1c, R1d, R1e, R1f, R1g, R2, X, L and A are as defined herein.

  本发明涉及新型化合物和制备去泛素酶（DUBs）抑制剂的方法。具体而言，本发明涉及抑制泛素C-末端水解酶30或泛素特异性肽酶30（USP30）。本发明进一步涉及在治疗涉及线粒体功能障碍和癌症的疾病中使用DUB抑制剂。本发明的化合物包括具有以下式（I）的化合物：（I）或其药用可接受盐，其中R1a、R1b、R1c、R1d、R1e、R1f、R1g、R2、X、L和A如本文所定义。
• Selenoxide Elimination Triggers Enamine Hydrolysis to Primary and Secondary Amines: A Combined Experimental and Theoretical Investigation
  作者：Giovanni Ribaudo、Marco Bortoli、Erika Oselladore、Alberto Ongaro、Alessandra Gianoncelli、Giuseppe Zagotto、Laura Orian

  DOI：10.3390/molecules26092770

  日期：——

  We discuss a novel selenium-based reaction mechanism consisting in a selenoxide elimination-triggered enamine hydrolysis. This one-pot model reaction was studied for a set of substrates. Under oxidative conditions, we observed and characterized the formation of primary and secondary amines as elimination products of such compounds, paving the way for a novel strategy to selectively release bioactive

  我们讨论了一种新颖的基于硒的反应机制，其中包括氧化硒消除引发的烯胺水解。针对一组底物研究了这种一锅模型反应。在氧化条件下，我们观察并表征了伯胺和仲胺作为此类化合物消除产物的形成，为选择性释放生物活性分子的新策略铺平了道路。使用核磁共振、质谱和密度泛函理论（DFT）研究了其潜在机制。
• [EN] COMPOUNDS AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR<br/>[FR] COMPOSÉS EN TANT QU'INHIBITEURS DU FACTEUR INHIBITEUR DE LA MIGRATION DES MACROPHAGES
  申请人：IMMUNOPHAGE BIOMEDICAL CO LTD

  公开号：WO2020186220A1

  公开（公告）日：2020-09-17

  The present invention provides compounds of Formula (I) shown above and their pharmaceutically acceptable salt, solvates, isomers, or prodrugs, as well as pharmaceutical compositions containing these compounds. Also provided by the invention is a method for treating a disorder mediated by macrophage migration inhibitory factor in a subject, comprising administering to the subject in need thereof a compound or a pharmaceutical composition of this invention.

  本发明提供了上述公式(I)所示的化合物及其药用可接受的盐、溶剂化物、异构体或前药，以及含有这些化合物的药物组合物。本发明还提供了一种用于治疗由巨噬细胞迁移抑制因子介导的疾病的方法，包括向需要治疗的对象施用本发明的化合物或药物组合物。