3,3,3-氨三丙酸 | 817-11-8

• 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: 3,3,3-氨三丙酸
• 中文别名: 3,3',3''-次氮基三丙酸；3,3',3''-次氮基三磷酸；3,3,3-次氮基三丙酸
• 英文名称: 3,3',3''-nitrilotripropanoic acid
• 英文别名: nitrilotripropionic acid；3,3',3''-nitrilotripropionic acid；NTP；3-[bis(2-carboxyethyl)amino]propanoic acid
• CAS: 817-11-8
• 化学式: C₉H₁₅NO₆
• mdl: MFCD00055827
• 分子量: 233.221
• InChiKey: IWTIBPIVCKUAHK-UHFFFAOYSA-N

物化性质

• 沸点：
  502.1±45.0 °C(Predicted)
• 密度：
  1.386±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.5
• 重原子数：
  16
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  7

安全信息

• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 海关编码：
  2921199090
• 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
• 储存条件：
  室温

SDS

3,3',3''-Nitrilotripropionic Acid
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 3,3',3''-Nitrilotripropionic Acid

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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.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 3,3',3''-Nitrilotripropionic Acid
Percent: >99.0%(T)
CAS Number: 817-11-8
Chemical Formula: C9H15NO6

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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.
3,3',3''-Nitrilotripropionic Acid

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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.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
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:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust 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.
Packaging material: Comply with laws.

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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: Dust 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.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Crystal- Powder
Form:
Colour: White - Almost white
No data available
Odour:
3,3',3''-Nitrilotripropionic Acid

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
pH: No data available
Melting point/freezing point:No data available
Boiling point/range: No data available
Flash point: No data available
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: No data available
Solubility(ies):
[Water] No data available
[Other solvents] No data available

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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:

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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:
No data available
IARC =
NTP = No data available
Reproductive toxicity: No data available

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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):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not listed
3,3',3''-Nitrilotripropionic Acid

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

3,3',3'''-硝基三丙酸是一种生物化学试剂，可用作生物材料或有机化合物，广泛应用于生命科学相关研究中。

反应信息

• 作为反应物：
  描述：

  3,3,3-氨三丙酸 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 、 三氟乙酸 作用下， 以 乙腈 为溶剂， 生成 3-[5-[3-[Bis[3-[5-[bis(2-carboxyethyl)amino]pentoxy]-3-oxopropyl]amino]propanoyloxy]pentyl-(2-carboxyethyl)amino]propanoic acid
  参考文献：
  名称：

  聚（氨基）酯树枝状聚合物和相关杂质的电喷雾串联质谱表征

  摘要：

  通过电喷雾电离串联质谱研究了一种酸封端的聚（氨基）酯树状聚合物，以建立其断裂途径，目的是利用它们研究在树状聚合物合成过程中产生的任何有缺陷分子的结构。该聚（氨基）酯树状聚合物可以在两个极性下均被电离，但是在负离子模式下从去质子化的分子中发现了与结构最相关的解离途径。该树枝状聚合物的解离模式已得到充分描述，并得到精确的质量测量结果的支持。带有负电荷的多元酸性树枝状大分子的主要离解反应显示为：（i）分支中二氧化碳和乙烯的释放，该过程进行的次数与完整中性分支的可用次数相同；（ii）消除整个树枝状聚合物臂。监测这些反应的发生以及与这两个主要途径的任何偏离，可以对六种主要的树枝状杂质进行结构表征。版权所有©2010 John Wiley＆Sons，Ltd.

  DOI：

  10.1002/rcm.4628
• 作为产物：
  描述：

  3,3’,3’-次氮基三丙酰胺 在 sodium hydroxide 作用下， 生成 3,3,3-氨三丙酸
  参考文献：
  名称：

  合成三异羟肟酸的通用方法

  摘要：

  在水溶性碳二亚胺在THF-H 2 O中，pH≈4.8的条件下，用羟胺处理三羧酸时，可以得到相应的三异羟肟酸，收率很高。

  DOI：

  10.1016/s0040-4039(00)74153-0

文献信息

• [EN] COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS<br/>[FR] COMPOSÉS ET PROCÉDÉS DESTINÉS À INHIBER UN ANTIPORT MÉDIÉ PAR NHE DANS LE TRAITEMENT DES TROUBLES ASSOCIÉS À UNE RÉTENTION DE FLUIDE OU À UNE SURCHARGE DE SEL ET DES TROUBLES DU TRACTUS GASTRO-INTESTINAL
  申请人：ARDELYX INC

  公开号：WO2014029984A1

  公开（公告）日：2014-02-27

  The present disclosure is directed to compounds and methods for the treatment of disorders associated with fluid retention or salt overload, such as heart failure (in particular, congestive heart failure), chronic kidney disease, end-stage renal disease, liver disease, and peroxisome proliferator-activated receptor (PPAR) gamma agonist- induced fluid retention. The present disclosure is also directed to compounds and methods for the treatment of hypertension. The present disclosure is also directed to compounds and methods for the treatment of gastrointestinal tract disorders, including the treatment or reduction of pain associated with gastrointestinal tract disorders.

  本公开涉及化合物和治疗与液体潴留或盐过多有关的疾病的方法，例如心力衰竭（特别是充血性心力衰竭）、慢性肾病、晚期肾病、肝病和过氧化物酶体增殖物激活受体（PPAR）γ激动剂诱导的液体潴留。本公开还涉及化合物和治疗高血压的方法。本公开还涉及化合物和治疗胃肠道疾病的方法，包括治疗或减轻与胃肠道疾病相关的疼痛。
• [EN] ENGINEERED ANTIMICROBIAL AMPHIPHILIC PEPTIDES AND METHODS OF USE<br/>[FR] PEPTIDES AMPHIPHILES ANTIMICROBIENS MODIFIÉS ET PROCÉDÉS D'UTILISATION
  申请人：PEPTILOGICS INC

  公开号：WO2018160997A1

  公开（公告）日：2018-09-07

  Disclosed herein are novel peptides that can comprise antimicrobial, antiviral, antifungal or antitumor activity when administered to a subject.

  本文披露了一种新型肽，当向受试者施用时，可以具有抗菌、抗病毒、抗真菌或抗肿瘤活性。
• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：UNIV OSLO

  公开号：WO2018033719A1

  公开（公告）日：2018-02-22

  The invention provides compounds for use in a method of treating and/or preventing a bacterial infection in a human or non-human mammal, said method comprising administration of said compound in combination with (either simultaneously, separately, or sequentially) a β-lactam antibiotic, wherein said compound has the general formula I: (I) (wherein: Q is a lipophilic, zinc chelating moiety which is selective for Zn2+ ions and which comprises at least one, preferably two or more (e.g 2, 3 or 4), optionally substituted, unsaturated heterocyclic rings, e.g. 5 or 6-membered heterocyclic rings (such rings preferably include at least one heteroatom selected from N, S and O, preferably N); wherein any optional substituents may be selected from C1-6 alkyl, C1-6 alkoxy, halogen, nitro, cyano, amine, and substituted amine; each L, which may be the same or different, is a covalent bond or a linker; each W, which may be the same or different, is a non-peptidic hydrophilic group which comprises one or more hydroxy groups; and x is an integer from 1 to 3) or a stereoisomer, pharmaceutically acceptable salt or prodrug thereof.

  该发明提供了一种化合物，用于治疗和/或预防人类或非人哺乳动物体内的细菌感染，所述方法包括将该化合物与β-内酰胺类抗生素（可以同时、分开或顺序地）结合给药，其中所述化合物具有一般式I：（I）（其中：Q是一个亲脂性、选择性结合Zn2+离子的基团，包括至少一个，最好是两个或更多（例如2、3或4个），可选择地取代的不饱和杂环环，例如5或6元杂环环（这些环最好包括至少一个从N、S和O中选择的杂原子，最好是N）；其中任何可选择的取代基可以选择自C1-6烷基、C1-6烷氧基、卤素、硝基、氰基、胺和取代胺；每个L，可以相同也可以不同，是一个共价键或一个连接基；每个W，可以相同也可以不同，是一个非肽性亲水基团，包括一个或多个羟基；x是1到3之间的整数）或其立体异构体、药学上可接受的盐或前药。
• Synthesis and biological evaluation of 3-amino-propan-1-ol based poly(ether imine) dendrimers
  作者：Thatavarathy Rama Krishna、Samta Jain、Utpal S. Tatu、Narayanaswamy Jayaraman

  DOI：10.1016/j.tet.2005.02.045

  日期：2005.4

  A general synthetic strategy for the rapid construction of poly(ether imine) dendrons and dendrimers with a nitrogen core, originating from 3-amino-propan-1-ol, is described. A new trifunctional monomer, namely, 3-[bis-(3-hydroxypropyl)amino]propan-1-ol, was used in a divergent synthesis of dendrimers up to the third generation. This method permitted installation of, either alcohol, amine, nitrile

  描述了用于快速构建源自3-氨基-丙烷-1-醇的聚（醚亚胺）树枝状分子和具有氮核的树枝状大分子的一般合成策略。一种新的三官能单体，即3- [双-（（3-羟丙基）氨基]丙-1-醇，被用于第三代树枝状聚合物的发散合成中。该方法允许在树枝状聚合物的外围安装醇，胺，腈，酯或羧酸基团。对水溶性羧酸封端的树枝状聚合物进行了细胞毒性研究，这些研究表明聚（醚亚胺）树枝状聚合物是无毒的。这些结果说明聚（醚亚胺）树状聚合物可用于生物学研究。
• [EN] INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY<br/>[FR] INHIBITEURS DE MÉTALLO-BÊTA-LACTAMASE (MBL) COMPRENANT UNE FRACTION DE CHÉLATION DU ZINC
  申请人：UNI I OSLO

  公开号：WO2015049546A1

  公开（公告）日：2015-04-09

  The invention provides compounds according to formula I: A - L - B wherein A represents a lipophilic chelating moiety which is selective for Zn2+ ions; L is a covalent bond or a linker; and B is a vector which is either a moiety capable of interacting with one or more biological structures found in a bacterium (preferably in a bacterial cell wall), for example a penicillin-binding protein such as a metallo-β- lactamase or DD-transferase, or a moiety capable of enhancing transport of the compound across a bacterial cell membrane. Such compounds find use in a method of treating and/or preventing a bacterial infection in a human or non-human mammal. In such a method, the compound of formula I may be administered in combination with (either simultaneously, separately, or sequentially) a β-lactam antibiotic.

  该发明提供了符合以下公式I的化合物：A - L - B，其中A代表选择性对Zn2+离子的亲脂螯合基团；L是共价键或连接物；B是矢量，可以是能与细菌中的一个或多个生物结构相互作用的基团（最好是在细菌细胞壁中找到的），例如金黄色葡萄球菌结合蛋白（例如金属β-内酰胺酶或DD-转移酶），或者是能增强化合物穿过细菌细胞膜的基团。这种化合物可用于治疗和/或预防人类或非人哺乳动物的细菌感染的方法。在这种方法中，公式I的化合物可以与（同时、分开或顺序地）β-内酰胺类抗生素一起给予。

表征谱图