15489-90-4

• 常用中文名：羟高铁血红素
• 常用英文名：Hematin
• CAS号：15489-90-4
• 分子式：C₃₄H₃₃FeN₄O₅
• 分子量：633.495
• 相关类别： 研究领域 癌症
• 发布时间：2018-03-14 08:00:00
• 更新时间：2024-01-03 11:42:18
• 血红素是一种含铁卟啉,通过与止血蛋白结合和失活的机制抑制凝血因子的活性和纤维蛋白凝块溶解[1]。血红素可用于急性卟啉症和癌症的研究[1][2][3][4][5]。

名称

• 中文名: 羟高铁血红素
• 英文名: hematin
• 中文别名: 高铁血红素; 血色素
• 英文别名: Hydroxy[dihydrogen Protoporphyrin IX-ato(2-)]iron; ferriprotoporphyrin IX hydroxide; [Dihydrogen 3,7,12,17-Tetramethyl-8,13-divinyl-2,18-porphinedipropionato(2-)]hydroxyiron; ferriporphyrin hydroxide; heme; BOVINE HEMIN; ferriheme hydroxide; Hydroxy[3,3'-(3,7,12,17-tetramethyl-8,13-divinyl-2,18-porphyrindiyl-κN,N)dipropanoato(2-)]iron; ferrihemate; Hematin porcine; Hematin; Iron, [8,13-diethenyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(2-)-κN,κN]hydroxy-; ferriprotoporphyrin IX; haem; ferriprotoporphyrin basic; iron protoporphyrin IX; MFCD00011615; HAEMATIN; HO-Fe(III)(protoporphyrin); hydroxyhemin; phenodin; ferriheme; (SP-5-13)-[7,12-Diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24]oxyferrate(2-) Dihydrogen; EINECS 239-518-9

物化性质

• 沸点: 1128.5ºC at 760 mmHg
• 熔点: 180ºC
• 分子式: C₃₄H₃₃FeN₄O₅
• 分子量: 633.495
• 闪点: 636.3ºC
• 精确质量: 633.180054
• PSA: 129.41000
• LogP: 3.43290
• 外观性状: 暗晶体带有金属光泽
• 蒸汽压: 0mmHg at 25°C
• 储存条件:

  密封4°干燥保存。

• 稳定性:

  常温常压下稳定

  避免的物料： 氧化物
• 计算化学:

  1、疏水参数计算参考值（XlogP）：

  2、氢键供体数量：3

  3、氢键受体数量：9

  4、可旋转化学键数量：8

  5、互变异构体数量：

  6、拓扑分子极性表面积（TPSA）：102

  7、重原子数量：44

  8、表面电荷：0

  9、复杂度：1580

  10、同位素原子数量：0

  11、确定原子立构中心数量：0

  12、不确定原子立构中心数量：0

  13、确定化学键立构中心数量：0

  14、不确定化学键立构中心数量：0

  15、共价键单元数量：3

• 更多:

  1.性状：蓝色至棕黑色粉末

  2.密度（g/mL,25/4℃）：未确定

  3.相对蒸汽密度（g/mL,空气=1）：未确定

  4.熔点（ºC）：180

  5.沸点（ºC,常压）：未确定

  6.沸点（ºC,5.2kPa）：未确定

  7.折射率：未确定

  8.闪点（ºC）：未确定

  9.比旋光度（º）：未确定

  10.自燃点或引燃温度（ºC）：未确定

  11.蒸气压（kPa,25ºC）：未确定

  12.饱和蒸气压（kPa,60ºC）：未确定

  13.燃烧热（KJ/mol）：未确定

  14.临界温度（ºC）：未确定

  15.临界压力（KPa）：未确定

  16.油水（辛醇/水）分配系数的对数值：未确定

  17.爆炸上限（%,V/V）：未确定

  18.爆炸下限（%,V/V）：未确定

  19.溶解性：溶于氢氧化碱溶液、热乙醇或氨，微溶于热吡啶，不溶于水、乙醚和氯仿

生物活性

• 描述: 血红素是一种含铁卟啉,通过与止血蛋白结合和失活的机制抑制凝血因子的活性和纤维蛋白凝块溶解[1]。血红素可用于急性卟啉症和癌症的研究[1][2][3][4][5]。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 其他 >> 其他
  研究领域 >> 代谢疾病
• 体外研究: 血红素(0.01 mg/ml)抑制牛凝血酶(0.12 U/ml)凝结牛纤维蛋白原(1.3至2.6 mg/ml),并抑制人凝血酶水解合成底物[2]。血红素(0.035 mg/ml)可将VIII:C活性从0.88 U/ml降低至0.40 U/ml[2]。血红素(0.05 mg/ml)抑制凝血酶(0.04 U/ml)激活VIII:C[2]。血红素(0.09 mg/ml)抑制纤溶酶对合成底物的水解[2]。
• 体内研究: 血红素(静脉注射；单次注射)抑制SD大鼠(体重160-205 g)[4]的卟啉生成。
• 参考文献:

  [1]. Siegert SW, et al. Physicochemical properties, pharmacokinetics, and pharmacodynamics of intravenous hematin: a literature review. Adv Ther. 2008 Sep;25(9):842-57.

  [2]. Green D, et al. The inactivation of hemostatic factors by hematin. J Lab Clin Med. 1983;102: 361-369.

  [3]. Amin ML, et al. Development of hematin conjugated PLGA nanoparticle for selective cancer targeting. Eur J Pharm Sci. 2016 Aug 25;91:138-43.

  [4]. Goetsch C, et al. Instability of hematin used in the treatment of acute hepatic porphyria. N Engl J Med. 1986;315: 235-238.

  [5]. Quadros HC, et al. The Role of the Iron Protoporphyrins Heme and Hematin in the Antimalarial Activity of Endoperoxide Drugs. Pharmaceuticals (Basel). 2022;15(1):60. Published 2022 Jan 4.

MSDS

Name: HEMATIN FROM BOVINE BLOOD Material Safety Data Sheet Synonym: CAS: 15489-90-4 Section 1 - Chemical Product MSDS Name:HEMATIN FROM BOVINE BLOOD Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 15489-90-4 HEMATIN, FROM BOVINE BLOOD 239-518-9 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW 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: The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: Not available. 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. Ingestion: Get medical aid. Wash mouth out with 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: 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 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. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 15489-90-4: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: black Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: Molecular Weight: Section 10 - STABILITY AND REACTIVITY Chemical Stability: Unstable. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 15489-90-4: NO6725000 LD50/LC50: Not available. Carcinogenicity: HEMATIN, FROM BOVINE BLOOD - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 15489-90-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 15489-90-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 15489-90-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 急性毒性：小鼠静脉LD50:43mg/kg 生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : NO6725000 CHEMICAL NAME : Iron, (dihydrogen 3,7,12,17-tetramethyl-8,13-divinyl-2,18-porphinedipro pionato(2-))-hydroxy- CAS REGISTRY NUMBER : 15489-90-4 LAST UPDATED : 199106 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C34-H31-Fe-N4-O5.2H MOLECULAR WEIGHT : 633.56 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Human - woman DOSE/DURATION : 40 mg/kg/30D-I TOXIC EFFECTS : Cardiac - pulse rate increase, without fall in BP Vascular - BP elevation not characterized in autonomic section Nutritional and Gross Metabolic - body temperature increase REFERENCE : AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 101,877,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 43 mg/kg TOXIC EFFECTS : Vascular - BP lowering not characterized in autonomic section Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Blood - hemorrhage REFERENCE : TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 2,329,1978

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危害码 (欧洲): Xi
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3.0

合成路线

13496-05-4 ~% 15489-90-4

文献：Organic and Biomolecular Chemistry, , vol. 10, # 31 p. 6375 - 6387