(-)-氨甲蝶呤 | 51865-79-3

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 中文名称: (-)-氨甲蝶呤
• 中文别名: D(-)-氨甲蝶呤
• 英文名称: methotrexate
• 英文别名: MTX；D-Amethopterin；(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
• CAS: 51865-79-3
• 化学式: C₂₀H₂₂N₈O₅
• 分子量: 454.445
• InChiKey: FBOZXECLQNJBKD-CYBMUJFWSA-N

物化性质

• 熔点：
  195 °C
• 沸点：
  561.26°C (rough estimate)
• 密度：
  1.4080 (rough estimate)
• 溶解度：
  可溶于水基（轻微、加热、超声处理）、DMSO（轻微）、甲醇（轻微）

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  211
• 氢给体数：
  5
• 氢受体数：
  12

安全信息

• 安全说明：
  S22,S26,S28A,S36/37/39,S45,S53
• 危险类别码：
  R61,R23/24/25,R36/37/38,R60,R25,R46
• 海关编码：
  29335995
• WGK Germany：
  3
• 危险品运输编号：
  UN 1544 6.1/PG 3

SDS

Name:	D-(-)-Amethopterin 98% Material Safety Data Sheet
Synonym:
CAS:	51865-79-3

Section 1 - Chemical Product MSDS Name:D-(-)-Amethopterin 98% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
51865-79-3	D-(-)-Amethopterin	98	257-482-2

Hazard Symbols: T
Risk Phrases: 46 61

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
May cause heritable genetic damage. May cause harm to the unborn child.Hygroscopic (absorbs moisture from the air).Light sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May cause blood abnormalities.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Exposure may cause blood abnormalities.
Chronic:
Chronic exposure may cause blood effects. Possible risk of harm to the unborn child.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Store protected from light.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Deep freeze (below -20C). Store protected from moisture. Store protected from light.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 51865-79-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: orange-yellow
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 195 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 195 deg C
Solubility in water: Negligible.
Specific Gravity/Density: >1.0
Molecular Formula: C20H22N8O5
Molecular Weight: 454.44

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, light, dust generation, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 51865-79-3: MA1224000 LD50/LC50:
Not available.
Carcinogenicity:
D-(-)-Amethopterin - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 46 May cause heritable genetic damage.
R 61 May cause harm to the unborn child.
Safety Phrases:
S 53 Avoid exposure - obtain special instructions
before use.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 51865-79-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 51865-79-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51865-79-3 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  D-谷氨酸 、 (-)-氨甲蝶呤 在 murine liver folylpoly-γ-glutamate synthetase 、 5’-三磷酸腺苷 、 magnesium chloride 作用下， 以 水 为溶剂， 生成 (R)-2-((R)-4-Carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyrylamino)-pentanedioic acid
  参考文献：
  名称：

  Habeck, Lillian L.; Mendelsohn, Laurane G.; Shih, Chuan, Molecular Pharmacology, 1995, vol. 48, # 2, p. 326 - 333

  摘要：

  DOI：

文献信息

• ASYMMETRIC BIFUNCTIONAL SILYL MONOMERS AND PARTICLES THEREOF AS PRODRUGS AND DELIVERY VEHICLES FOR PHARMACEUTICAL, CHEMICAL AND BIOLOGICAL AGENTS
  申请人：The University of North Carolina at Chapel Hill

  公开号：US20170021030A1

  公开（公告）日：2017-01-26

  Asymmetric bifunctional silyl (ABS) monomers comprising covalently linked pharmaceutical, chemical and biological agents are described. These agents can also be covalently bound via the silyl group to delivery vehicles for delivering the agents to desired targets or areas. Also described are delivery vehicles which contain ABS monomers comprising covalently linked agents and to vehicles that are covalently linked to the ABS monomers. The silyl modifications described herein can modify properties of the agents and vehicles, thereby providing desired solubility, stability, hydrophobicity and targeting.

  描述了包含共价连接的药物、化学和生物试剂的不对称双功能硅基（ABS）单体。这些试剂也可以通过硅基团共价结合到传递载体上，以将试剂传递到所需的靶标或区域。还描述了包含共价连接试剂的ABS单体的传递载体，以及与ABS单体共价连接的载体。本文描述的硅基修饰可以修改试剂和载体的性质，从而提供所需的溶解性、稳定性、疏水性和靶向性。
• COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT
  申请人：Goh Kay Lin

  公开号：US20100098691A1

  公开（公告）日：2010-04-22

  The present invention relates to a pharmaceutical composition for the treatment of cancer as well as methods of treatment of cancer that are based on the finding that certain benzimidazole based anti-cancer agents can be used in combination with a second anti-cancer agent to achieve desirable therapeutic outcomes. More specifically the present invention relates to a pharmaceutical composition including a benzimidazole based anti-cancer agent and a second anti-cancer agent. The invention also relates to methods of treatment of cancer including administration of a benzimidazole based anti-cancer agent and a second anti-cancer agent to a patient in need thereof.

  本发明涉及一种用于癌症治疗的制药组合物，以及基于发现某些基于苯并咪唑的抗癌药物可以与第二种抗癌药物结合使用以达到理想的治疗效果的癌症治疗方法。更具体地，本发明涉及一种包括基于苯并咪唑的抗癌药物和第二种抗癌药物的制药组合物。本发明还涉及癌症治疗方法，包括向需要治疗的患者施用基于苯并咪唑的抗癌药物和第二种抗癌药物。
• ANTIBODIES
  申请人：Sathyanarayanan Sriram

  公开号：US20120058112A1

  公开（公告）日：2012-03-08

  The combination of an IGF-1R antagonist such as a humanized antibody and an anti-proliferative drug is described. In a preferred embodiment, the present invention describes the combination of an IGF-1R antibody and an anti-proliferative drug belonging to the EGFR-inhibitor class, which is preferably erlotinib. The combination according to the present invention is useful for the treatment of tumours, including IGF-1R and/or EGFR mediated or dependent tumours.

  本发明描述了IGF-1R拮抗剂（例如人源化抗体）和抗增殖药物的组合。在一种优选实施方案中，本发明描述了IGF-1R抗体和属于EGFR抑制剂类的抗增殖药物（优选为厄洛替尼）的组合。根据本发明的组合对于治疗肿瘤，包括IGF-1R和/或EGFR介导或依赖的肿瘤是有用的。
• METHODS AND COMPOSITIONS FOR TREATING CANCER
  申请人：Kolhe Parag

  公开号：US20100143340A1

  公开（公告）日：2010-06-10

  The present invention provides methods for preventing or treating a medical disorder in a subject comprising administering to the subject an effective amount of a stable pharmaceutical formulation comprising an antibody or antigen-binding fragment thereof.

  本发明提供了一种预防或治疗受试者医疗障碍的方法，包括向受试者投与一种包含抗体或其抗原结合片段的稳定药物制剂的有效量。
• METHODS OF TREATMENT
  申请人：Wang Yan

  公开号：US20110262525A1

  公开（公告）日：2011-10-27

  This invention relates to compositions and methods useful for treating various cancers. Therapeutic combinations and methods of use thereof are also covered in the present application.

  本发明涉及用于治疗各种癌症的组合物和方法。本申请还涵盖了治疗组合物和使用方法。