2,4-二甲基-5-(4,4,5,5-四甲基-1,3,2-二氧硼烷-2-YL)-1,3-噻唑 | 859833-13-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2,4-二甲基-5-(4,4,5,5-四甲基-1,3,2-二氧硼烷-2-YL)-1,3-噻唑
• 英文名称: 2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
• 英文别名: 2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole；2,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole；2,4-dimethylthiazole-5-boronic acid pinacol ester
• CAS: 859833-13-9
• 化学式: C₁₁H₁₈BNO₂S
• mdl: MFCD07783649
• 分子量: 239.146
• InChiKey: AZYDPQHPHNHZPL-UHFFFAOYSA-N

物化性质

• 沸点：
  331.3±30.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.63
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.727
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,4-Dimethylthiazole-5-boronic acid, pinacol ester
Synonyms: 2,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole

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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: 2,4-Dimethylthiazole-5-boronic acid, pinacol ester
CAS number: 859833-13-9

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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, under −20◦C.
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: C11H18BNO2S
Molecular weight: 239.1

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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, sulfur 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：

  2,4-二甲基-5-(4,4,5,5-四甲基-1,3,2-二氧硼烷-2-YL)-1,3-噻唑 在 potassium carbonate 、 三氟乙酸 作用下， 以 二氯甲烷 、 水 、 异丙醇 、 仲丁醇 为溶剂， 反应 3.0h， 生成 5-chloro-4-(2,4-dimethylthiazol-5-yl)-N-(4-(piperazin-1-yl)phenyl)pyrimidin-2-amine trifluoroacetic acid salt
  参考文献：
  名称：

  [EN] DEGRADERS THAT TARGET PROTEINS VIA KEAP1
  [FR] AGENTS DE DÉGRADATION CIBLANT DES PROTÉINES PAR L'INTERMÉDIAIRE DE KEAP1

  摘要：

  揭示了双功能化合物，包含它们的药物组合物，以及制备和使用它们来治疗由异常蛋白活性特征的疾病和紊乱的方法，其中蛋白被KEAP1和基于Cul3的E3泛素连接酶复合物靶向降解。

  公开号：

  WO2020018788A1
• 作为产物：
  描述：

  2,4-二甲基噻唑 在 溴 、 magnesium 、 calcium carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 、 1,2-二溴乙烷 为溶剂， 反应 28.0h， 生成 2,4-二甲基-5-(4,4,5,5-四甲基-1,3,2-二氧硼烷-2-YL)-1,3-噻唑
  参考文献：
  名称：

  [EN] COMPOSITIONS FOR THE TREATMENT OF KIDNEY AND/OR LIVER DISEASE
  [FR] COMPOSITIONS POUR LE TRAITEMENT D'UNE MALADIE HÉPATIQUE ET/OU RÉNALE

  摘要：

  本发明涉及新化合物及其在预防性和/或治疗性治疗肾脏和/或肝脏疾病中的用途。

  公开号：

  WO2016145478A1

文献信息

• [EN] COMPOSITIONS FOR THE TREATMENT OF KIDNEY AND/OR LIVER DISEASE<br/>[FR] COMPOSITIONS POUR LE TRAITEMENT D'UNE MALADIE HÉPATIQUE ET/OU RÉNALE
  申请人：VECTUS BIOSYSTEMS LTD

  公开号：WO2016145478A1

  公开（公告）日：2016-09-22

  The present invention relates to novel compounds and their use in the prophylactic and/or therapeutic treatment of kidney and/or liver disease.

  本发明涉及新化合物及其在预防性和/或治疗性治疗肾脏和/或肝脏疾病中的用途。
• [EN] TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE<br/>[FR] DÉRIVÉS DE TÉTRAHYDROQUINOLINE ET LEUR UTILISATION PHARMACEUTIQUE
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2011054841A1

  公开（公告）日：2011-05-12

  Tetrahydroquinoline compounds of Formula (I) and salts thereof, pharmaceutical compositions containing such compounds and their use in therapy.

  Formula (I)的四氢喹啉化合物及其盐，含有这种化合物的药物组合物以及它们在治疗中的用途。
• [EN] NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS<br/>[FR] NOUVEAUX COMPOSÉS HÉTÉROCYCLIQUES BICYCLIQUES SUBSTITUÉS EN TANT QUE MODULATEURS DE LA GAMMA-SÉCRÉTASE
  申请人：ORTHO MCNEIL JANSSEN PHARM

  公开号：WO2010089292A1

  公开（公告）日：2010-08-12

  The present invention is concerned with substituted bicyclic heterocyclic compounds of Formula (I) wherein Het1, Het2, A1, A2, A3 and A4 have the meaning defined in the claims. The compounds according to the present invention are useful as gamma secretase modulators. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及式（I）的取代双环杂环化合物，其中Het1、Het2、A1、A2、A3和A4的含义如权利要求中所定义。根据本发明的化合物可用作γ-分泌酶调节剂。本发明还涉及制备这种新化合物的方法，包含所述化合物作为活性成分的药物组合物，以及将所述化合物用作药物的用途。
• Pharmacological evaluation of novel (6-aminopyridin-3-yl)(4-(pyridin-2-yl)piperazin-1-yl) methanone derivatives as TRPV4 antagonists for the treatment of pain
  作者：Naoki Tsuno、Akira Yukimasa、Osamu Yoshida、Shinji Suzuki、Hiromi Nakai、Tomoyuki Ogawa、Motohiro Fujiu、Kenji Takaya、Azusa Nozu、Hiroki Yamaguchi、Hidetoshi Matsuda、Satoko Funaki、Natsue Yamanada、Miki Tanimura、Daiki Nagamatsu、Toshiyuki Asaki、Narumi Horita、Miyuki Yamamoto、Mikie Hinata、Masahiko Soga、Masayuki Imai、Yasuhide Morioka、Toshiyuki Kanemasa、Gaku Sakaguchi、Yasuyoshi Iso

  DOI：10.1016/j.bmc.2017.02.047

  日期：2017.4

  A novel series of (6-aminopyridin-3-yl)(4-(pyridin-2-yl)piperazin-1-yl) methanone derivatives were identified as selective transient receptor potential vanilloid 4 (TRPV4) channel antagonist and showed analgesic effect in Freund's Complete Adjuvant (FCA) induced mechanical hyperalgesia model in guinea pig and rat. Modification of right part based on the compound 16d which was disclosed in our previous

  一系列新的（6-氨基吡啶-3-基）（4-（吡啶-2-基）哌嗪-1-基）甲酮衍生物被鉴定为选择性瞬时受体电位香草酸4（TRPV4）通道拮抗剂，并显示出镇痛作用。弗氏完全佐剂（FCA）诱导的豚鼠和大鼠机械性痛觉过敏模型。根据我们先前的来文中披露的基于化合物16d的右侧部分的修改导致将化合物26i鉴定为旗舰化合物。在本文中，我们描述了这些衍生物左右两侧的设计，合成和构效关系（SAR）分析的详细信息（图1）。
• [EN] SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS<br/>[FR] COMPOSÉS SUBSTITUÉS DE PYRAZOLO[1,5-A]PYRIDINES COMME INHIBITEURS DE LA KINASE RET
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2017011776A1

  公开（公告）日：2017-01-19

  Provided herein are compounds of the General Formula I: and stereoisomers and pharmaceutically acceptable salts or solvates thereof, in which A, B, D, E, X1, X2, X3 and X4 have the meanings given in the specification, which are inhibitors of RET kinase and are useful in the treatment and prevention of diseases which can be treated with a RET kinase inhibitor, including diseases or disorders mediated by a RET kinase.

  本文提供了一般式I的化合物及其立体异构体和药用可接受的盐或溶剂，其中A、B、D、E、X1、X2、X3和X4的含义如规范中所述，这些化合物是RET激酶的抑制剂，可用于治疗和预防可以用RET激酶抑制剂治疗的疾病，包括由RET激酶介导的疾病或紊乱。