Coproporphyrin III | 14643-66-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: Coproporphyrin III
• 英文别名: 3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid
• CAS: 14643-66-4
• 化学式: C₃₆H₃₈N₄O₈
• 分子量: 654.7
• InChiKey: XNBNKCLBGTWWSD-UHFFFAOYSA-N

物化性质

• 溶解度：
  DMSO（轻微，超声处理），甲醇（轻微）
• 沸点：
  1258.0±65.0 °C(Predicted)
• 密度：
  1.366±0.06 g/cm3(Predicted)
• 碰撞截面：
  257.2 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  48
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  207
• 氢给体数：
  6
• 氢受体数：
  10

ADMET

毒理性

• 致癌物分类

对人类无致癌性（未列入国际癌症研究机构IARC清单）。

No indication of carcinogenicity to humans (not listed by IARC).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

慢性高水平的卟啉与卟啉病有关，例如变异型卟啉病、急性间歇性卟啉病和遗传性粪卟啉病（HCP）。

Chronically high levels of porophyrins are associated with porphyrias such as Porphyria variegate, Acute Intermittent Porphyria and Hereditary Coproporphyria (HCP).

来源:Toxin and Toxin Target Database (T3DB)

SDS

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Section 1: Product Identification
Chemical Name: Coproporphyrin III dihydrochloride
CAS Registry Number: 14643-66-4
Formula: C36H38N4O8.2HCl
EINECS Number: none
Chemical Family: porphine (porphyrin) ligand
Synonym: None

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 14643-66-4 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: No particular hazard associated with this material.
Primary Routes of Exposure: Ingestion, inhalation
Eye Contact: May cause slight to mild irritation of the eyes.
Skin Contact: May cause slight to mild irritation of the skin.
Inhalation: May be irritating to the nose, mucous membranes and respiratory tract.
Ingestion: No specific information is available on the physiological effects of ingestion.
Acute Health Affects: May be irritating to skin, eyes and respiratory tract.
Chronic Health Affects: No information available on long-term chronic effects.
NTP: No
IARC: No
OSHA: No

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SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

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SECTION 5: Fire Fighting Measures
Flash Point: no data
Autoignition Temperature: none
Explosion Limits: none
Extinguishing Medium: carbon dioxide, dry powder or foam
If this material is involved in a fire, fire fighters should be equipped with a NIOSH approved, positive pressure
Special Fire Fighting Procedures:
self contained breathing apparatus and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit toxic organic fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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SECTION 6: Accidental Release Measures
Spill and Leak Procedures: Small spills can be mixed with vermiculite or sodium carbonate and swept up.

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SECTION 7: Handling and Storage
Handling and Storage: Store in a tightly sealed container. Keep away from heat and direct sunlight.

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SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection: Wear protective clothing and gloves.
Ventilation: Material may form a fine dust. If possible, handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: Material may form a fine dust. If possible, handle the material in an efficient fume hood.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: purple xtl.
Molecular Weight: 727.64
Melting Point: no data
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: none
Solubility in Water: soluble

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SECTION 10: Stability and Reactivity
Stability: air and moisture stable solid
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: none
Incompatibility: oxidizing agents
Decomposition Products: carbon dioxide, carbon monoxide, nitrogen oxides, and organic fumes

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SECTION 11: Toxicological Information
RTECS Data: No information available in the RTECS files.
Carcinogenic Effects: No data available
Mutagenic Effects: No data available
Tetratogenic Effects: No data available

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SECTION 12: Ecological Information
Ecological Information: No information available

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SECTION 13: Disposal Considerations
Disposal: Dispose of according to local, state and federal regulations.

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SECTION 14: Transportation
Shipping Name (CFR): Non-hazardous
Hazard Class (CFR): NA
Additional Hazard Class (CFR): NA
Packaging Group (CFR): NA
UN ID Number (CFR): NA
Shipping Name (IATA): Non-hazardous
Hazard Class (IATA): NA
Additional Hazard Class (IATA): NA
Packaging Group (IATA): NA
UN ID Number (IATA): NA

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SECTION 15: Regulatory Information
TSCA: Not listed in the TSCA inventory.
SARA (Title 313): Not reportable under SARA Title 313
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

生物活性

Coproporphyrin III (Zincphyrin) 是一种天然存在的卟啉衍生物，主要存在于尿液中。

靶点

Human Endogenous Metabolite

体外研究

Coproporphyrin III 甲基酯反复从粪便和尿液中分离出大量。大量排出 Coproporphyrin III 并不伴随出现卟啉病、金属或化学中毒或肝病的症状或迹象。使用鸡胚肝细胞初级培养来研究化学物质如何导致血红素合成途径中间体的积累。在 5-氨基酮戊酸 (ALA) 存在下，加入胰岛素会导致尿卟啉 I 和 Coproporphyrin III 积累显著增加。抗氧化剂可以消除尿卟啉 I 的积累并增加 Coproporphyrin III。

体内研究

尿液脱氧甲基丙二酸和卟啉谱图可作为慢性 MMA 暴露的早期预警生物标志物，以便在癌症出现之前进行检测。四周后，所有治疗组中 Coproporphyrin III 浓度显著增加，与对照组相比有统计学意义。

反应信息

• 作为产物：
  描述：

  、 D-木糖 、 3,8,13,17-四甲基-5,10,15,20,22,24-六氢卟啉-2,7,12,18-四丙酸 、 7,12-二乙烯基-3,8,13,17-四甲基-5,10,15,20,22,24-六氢卟啉-2,18-二丙酸 在 3,8,13,17-四甲基-5,10,15,20,22,24-六氢卟啉-2,7,12,18-四丙酸 、 CoCl2 作用下， 反应 0.8h， 生成 Coproporphyrin III
  参考文献：
  名称：

  Method for the production of vitamin b12

  摘要：

  本发明涉及一种利用包含经基因改造的巨大芽孢杆菌菌株的培养物生产维生素B12的方法，以及一种经基因改造的巨大芽孢杆菌菌株和其制备的载体。

  公开号：

  US20060105432A1

文献信息

• Method for the production of vitamin b12
  申请人：Barg Heiko

  公开号：US20060105432A1

  公开（公告）日：2006-05-18

  The present invention relates to a method for the production of vitamin B12 by means of a culture comprising a genetically modified Bacillus megaterium strain, to a genetically modified Bacillus megaterium strain, and to vectors for its preparation.

  本发明涉及一种利用包含经基因改造的巨大芽孢杆菌菌株的培养物生产维生素B12的方法，以及一种经基因改造的巨大芽孢杆菌菌株和其制备的载体。