3,3'-亚氨基二丙酸二叔丁酯 | 128988-04-5

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酯及其衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 3,3'-亚氨基二丙酸二叔丁酯
• 英文名称: di-tert-butyl 3,3‘-azanediyldipropanoate
• 英文别名: di-tert-butyl 3,3’-azanediyldipropanoate；di-tert-butyl 3,3'-azanediyldipropanoate；di-tert-butyl 3,3-iminodipropionate；di-tert-butyl 3,3'-iminodipropionate；tert-butyl 3-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]propanoate
• CAS: 128988-04-5
• 化学式: C₁₄H₂₇NO₄
• 分子量: 273.373
• InChiKey: KCTOWZYKZDFZMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P264,P280,P302+P352+P332+P313+P362+P364,P305+P351+P338+P337+P313
• 危险性描述：
  H315,H319

SDS

Di-tert-butyl 3,3'-Iminodipropionate
SAFETY DATA SHEET

---

Section 1. IDENTIFICATION
Product name: Di-tert-butyl 3,3'-Iminodipropionate

---

Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Skin corrosion/irritation Category 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Warning
Hazard statements Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Wash hands thoroughly after handling.
[Prevention]
Wear protective gloves/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
[Response]
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.

---

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: Di-tert-butyl 3,3'-Iminodipropionate
Percent: >97.0%(GC)(T)
CAS Number: 128988-04-5
Synonyms: 3,3'-Iminodipropionic Acid Di-tert-butyl Ester
C14H27NO4
Chemical Formula:

---

Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Di-tert-butyl 3,3'-Iminodipropionate

---

Section 4. FIRST AID MEASURES
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

---

Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, carbon dioxide.
media:
Unsuitable extinguishing Water (It may scatter and spread fire.)
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

---

Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
up: material should be promptly disposed of, in accordance with appropriate laws and
regulations.

---

Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent generation of vapour or mist. Wash hands and face thoroughly after
handling.
Use a ventilation, local exhaust if vapour or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Comply with laws.
Packaging material:

---

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Vapor respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.
Di-tert-butyl 3,3'-Iminodipropionate

---

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Liquid
Form: Clear
Colorless - Almost colorless
Colour:
Odour: No data available
pH: No data available
Melting point/freezing point:No data available
No data available
Boiling point/range:
Flash point: No data available
Flammability or explosive
limits:
No data available
Lower:
Upper: No data available
0.97
Relative density:
Solubility(ies):
No data available
[Water]
[Other solvents] No data available

---

Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
products:

---

Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
No data available
NTP =
Reproductive toxicity: No data available

---

Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
Log Pow: No data available
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

---

Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
disposing of the substance.
Di-tert-butyl 3,3'-Iminodipropionate

---

Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not listed

---

Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3,3'-亚氨基二丙酸二叔丁酯 在 盐酸 、 甲酸 、 二甲基硫 、 硫化氢 、 potassium tert-butylate 、 四氯化钛 、 臭氧 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 甲苯 、 叔丁醇 为溶剂， 反应 19.75h， 生成 5-formyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
  参考文献：
  名称：

  A New Synthesis of 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine

  摘要：

  The title compound was prepared via a sequence containing as the key step a thiophene ring formation from a 1,4-dicarbonyl intermediate.

  DOI：

  10.3987/com-92-6164
• 作为产物：
  描述：

  丙烯酸叔丁酯 在 盐酸 、 sodium hydroxide 作用下， 以 水 为溶剂， 生成 3,3'-亚氨基二丙酸二叔丁酯
  参考文献：
  名称：

  Process for the production of 4,5,6,7-tetrahydrothieno-[3,2-C]-pyridines

  摘要：

  一种用于生产4,5,6,7-四氢噻吩-[3,2-c]-吡啶的方法，其化学式为：##STR1## 因此，在化学式为4-氧代-3-哌啶-3-羧酸酯的情况下：##STR2## 在3位引入一个烯丙基基团，去除3位的酯功能基团，得到的化合物的化学式为：##STR3## 被电离，还原为相应的醛的化学式：##STR4## 并在金属卤化物存在下与H.sub.2 S/HCl环化成最终产物。合成的化合物具有抗血栓作用。

  公开号：

  US04965359A1

文献信息

• 双链连接的细胞毒性药物偶联物
  申请人：杭州多禧生物科技有限公司

  公开号：CN110621673A

  公开（公告）日：2019-12-27

  本发明涉及以双链连接体连接的细胞毒性分子与细胞结合分子的偶联物，如结构式(I)所示.本发明还提供了以双链连接制备细胞毒性药物/分子与细胞结合剂的偶联物的特定方式。它还涉及偶联物在治疗癌症，或自身免疫疾病或传染病中的应用。
• [EN] CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES<br/>[FR] DÉRIVÉ DE DIMÈRE DE PYRROLOBENZODIAZÉPINE RÉTICULÉ (PBD) ET SES CONJUGUÉS
  申请人：HANGZHOU DAC BIOTECH CO LTD

  公开号：WO2020006722A1

  公开（公告）日：2020-01-09

  A novel cross-linked cytotoxic agents, pyrrolobenzo-diazepine dimer (PBD) derivatives, and their conjugates to a cell-binding molecule, a method for preparation of the conjugates and the therapeutic use of the conjugates.

  一种新型的交联细胞毒剂，吡咯苯并二氮杂环二聚体（PBD）衍生物，以及它们与细胞结合分子的结合物，一种制备这些结合物的方法以及这些结合物的治疗用途。
• [EN] CONJUGATION LINKERS CONTAINING 2,3-DIAMINOSUCCINYL GROUP<br/>[FR] LIEURS DE CONJUGAISON CONTENANT UN GROUPE 2,3-DIAMINOSUCCINYLE
  申请人：HANGZHOU DAC BIOTECH CO LTD

  公开号：WO2020073345A1

  公开（公告）日：2020-04-16

  Provided is a conjugate of a cytotoxic drug/molecule to a cell-binding molecule with a bis-linker (adual-linker) containing a 2, 3-diaminosuccinyl group. It also relates to preparation of the conjugate of a cytotoxic drug/molecule to a cell-binding molecule with the bis-linker, particularly when the drug having functional groups of amino, hydroxyl, diamino, amino-hydroxyl, dihydroxyl, carboxyl, hydrazine, aldehyde and thiol for conjugation with the bis-linker in a specific manner, as well as the therapeutic use of the conjugates.

  提供的是将细胞毒性药物/分子与含有双联接剂（双联接剂）的细胞结合分子结合的共轭物。它还涉及将细胞毒性药物/分子与双联接剂的细胞结合分子结合的制备，特别是当药物具有氨基，羟基，二氨基，氨基-羟基，二羟基，羧基，双肼，醛基和硫醇等功能基团以特定方式与双联接剂结合时，以及这些共轭物的治疗用途。
• [EN] CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS<br/>[FR] LIEURS DE CONJUGAISON, CONJUGUÉS MÉDICAMENT-MOLÉCULE DE LIAISON À UNE CELLULE CONTENANT LESDITS LIEURS, PROCÉDÉS DE PRÉPARATION ET D'UTILISATION DE TELS CONJUGUÉS AVEC LES LIEURS
  申请人：HANGZHOU DAC BIOTECH CO LTD

  公开号：WO2018086139A1

  公开（公告）日：2018-05-17

  The present invention relates to linkers having a group of propiolyl, substituted acryl (acryloyl), or disubstituted propanoyl, and using such linkers for the conjugation of compounds, in particular, cytotoxic agents to a cell-binding molecule.

  本发明涉及具有丙炔基、取代丙烯酰（丙烯酰）或二取代丙酰基的连接剂，并使用这些连接剂将化合物，特别是细胞毒性药剂，与细胞结合分子结合。
• [EN] ANTIBODY-DRUG CONJUGATE<br/>[FR] CONJUGUÉ ANTICORPS-MÉDICAMENT
  申请人：SHENZHEN ENDURING BIOTECH LTD

  公开号：WO2021209007A1

  公开（公告）日：2021-10-21

  Provided herein is an antibody-drug conjugate (ADC) especially a PEGylated mono or bispecific antibody-drug conjugate (BsADC) prepared with site-specific conjugation to provide homogeneous conjugate with high potency and low toxicity. It also relates to a method for the preparation of the ADC, a composition comprising the ADC, and the use thereof in treating diseases.

  提供了一种抗体药物偶联物（ADC），特别是通过位点特异性偶联制备的聚乙二醇化单克隆或双特异性抗体药物偶联物（BsADC），以提供具有高活性和低毒性的均匀偶联物。还涉及了一种制备ADC的方法，包含ADC的组成物，以及ADC在治疗疾病中的应用。