丝裂霉素

丝裂霉素 基本信息
CAS号 50-07-7 分子式 C15H18N4O5
分子量 334.32700 精确质量  334.12800
PSA  146.89000 LogP  0.01610

等价的CAS号:

50-07-7,69515-74-8,102679-62-9,111768-87-7,148091-11-6

基本信息 展开↓

CAS号:
50-07-7
3D弹球模型:
立即前往扯扯看
分子式:
C15H18N4O5
分子量:
334.32700
中文名称:
丝裂霉素
英文名称:
mitomycin C
中文别名:
丝裂霉素;
自力霉素;
自力霉素,嘧吡霉素;
密吐霉素
英文别名:
mitomycin C;
Mitomycin C(Ametycine)
精确分子量/精确质量:
334.12800
极性分子表面积/PSA:
146.89000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00078109
EINECS:
200-008-6
PubChem:
24896555
BRN:
7231816
InChI:
InChI=1/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7?,13+,15-/m0/s1

生产制备方法及用途展开↓

合成制备方法


用发酵方法生产。自放线菌(Strepto-myces caespitosus)培养液可提出丝裂霉素A、B、C。我国从自己分离的放线菌H2760菌株中提取,又称自力霉素,与国外报道的丝裂霉素C相同。

用途


该品抗瘤谱较广,用于胃癌、乳腺癌效果好。对肺癌、肝癌、恶性化淋巴瘤、何杰金氏病、网状细胞肉瘤、子宫癌、白血病、肠道癌和胰腺癌等均有一定疗效,但缓解期较短。与尿激酶合用可提高疗效,该品作用迅速,但治疗接线员数不高,毒性大。该品和博来霉素及其衍生物派来霉素都是破坏DNA的抗生素类抗癌药,可使细胞DNA解聚,抑制增生细胞的DNA的复制。小鼠静脉注射LD50为5ml/kg。

物化性质展开↓

外观与性状:
暗蓝色灰色结晶粉末
密度:
1.56g/cm3
熔点:
360 °C
沸点:
581.8ºC at 760mmHg
闪点:
305.6ºC
水溶解性:
soluble
折射率:
1.68
存储条件/存储方法:
库房通风低温干燥
其它信息:

1.       性状:蓝紫色有光泽结晶或结晶性粉末,无臭。固体稳定,但在酸性和碱性溶液中易失活

2.       密度(g/mL,25/4℃):不确定

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):>360

5.       沸点(ºC,常压):不确定

6.       沸点(ºC, 5.2 kPa):不确定

7.       折射率:不确定

8.       闪点(ºC):不确定

9.       比旋光度(º):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25 ºC):不确定

12.    饱和蒸气压(kPa,60 ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:本品溶于水(H2O: 4 mL/vial Stock solutions should be filter sterilized and stored at 2-8 °C in the dark., clear to slightly hazy, blue to purple)、甲醇、丙酮和乙酸乙酯等有机溶剂,微溶于苯、乙醚和四氯化碳,不溶于石油醚

安全信息展开↓

包装等级:
II
风险类别:
6.1(a)
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R25;R40
安全说明:
S36/37-S45-S28A-S28
RTECS号:
CN0700000
安全标志:
:
危险标志:
T:Toxic

合成路线查看所有的合成路线

  • 122644-74-0

    1a-acetyl-7-demethoxy-6,7-dihydro-7,7-(ethylenedioxy)-6-(phenylselenyl)mitomycin A

  • ~81%

  • 50-07-7

    丝裂霉素

  • 128583-70-0

    128583-70-0

  • ~79%

  • 50-07-7

    丝裂霉素

  • 91917-64-5

    Isomitomycin A

  • ~73%

  • 50-07-7

    丝裂霉素

MSDS 展开↓

Name: Mitomycin C (Contains 2mg Mitomycin C and 48mg Sodium Chloride) Material Safety Data Sheet
Synonym: Ametycine
CAS: 50-07-7
Section 1 - Chemical Product   MSDS Name:Mitomycin C (Contains 2mg Mitomycin C and 48mg Sodium Chloride) Material Safety Data Sheet
Synonym:Ametycine

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
50-07-7 Mitomycin C 4 200-008-6
Hazard Symbols: T
Risk Phrases: 25 33

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic if swallowed. Danger of cumulative effects.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
Harmful if swallowed. May cause liver damage. May cause digestive tract disturbances. May cause bone marrow depression.
Inhalation:
May cause respiratory tract irritation. May cause effects similar to those described for ingestion. May cause pulmonary fibrosis and permanent damage.
Chronic:
May cause cancer according to animal studies. Chronic exposure may cause liver damage. Adverse reproductive effects have been reported in animals. Potential cancer hazard.

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:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
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. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Non-combustible, substance itself does not burn but may decompose upon heating to produce irritating, corrosive and/or toxic fumes.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Substance is noncombustible; use agent most appropriate to extinguish surrounding fire.

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

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Minimize dust generation and accumulation. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale.
Storage:
Do not store in direct sunlight. Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Hormones and antibiotics room. Store below 40C.

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 general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 50-07-7: CAS# 7647-14-5: Russia: 5 mg/m3 TWA Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystalline powder
Color: blue-violet
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 360 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble
Specific Gravity/Density:
Molecular Formula: C15H18N4O5
Molecular Weight: 334.32

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light, dust generation, excess heat, temperatures above 40C.
Incompatibilities with Other Materials:
Strong oxidizing agents - strong acids - strong bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 50-07-7: CN0700000 CAS# 7647-14-5: VZ4725000 LD50/LC50:
CAS# 50-07-7: Oral, mouse: LD50 = 23 mg/kg; Oral, rat: LD50 = 30 mg/kg.
CAS# 7647-14-5: Draize test, rabbit, eye: 100 mg Mild; Draize test, rabbit, eye: 100 mg/24H Moderate; Draize test, rabbit, eye: 10 mg Moderate; Draize test, rabbit, skin: 50 mg/24H Mild; Draize test, rabbit, skin: 500 mg/24H Mild; Inhalation, rat: LC50 = >42 gm/m3/1H; Oral, mouse: LD50 = 4 gm/kg; Oral, rat: LD50 = 3000 mg/kg; Skin, rabbit: LD50 = >10 gm/kg.
Carcinogenicity:
Mitomycin C - California: carcinogen, initial date 4/1/88 IARC: Group 2B carcinogen Sodium chloride - 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: II
USA RQ: CAS# 50-07-7: 10 lb final RQ; 4.54 kg final RQ

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 25 Toxic if swallowed.
R 33 Danger of cumulative effects.
Safety Phrases:
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# 50-07-7: 3
CAS# 7647-14-5: 0
Canada
CAS# 50-07-7 is listed on Canada's NDSL List.
CAS# 7647-14-5 is listed on Canada's DSL List.
CAS# 50-07-7 is not listed on Canada's Ingredient Disclosure List.
CAS# 7647-14-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 50-07-7 is listed on the TSCA inventory.
CAS# 7647-14-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据


1、  摩尔折射率:80.79

2、  摩尔体积(cm3/mol):213.6

3、  等张比容(90.2K):633.5

4、  表面张力(dyne/cm):77.2

5、  极化率(10-24cm3):32.02

计算化学数据


1、   疏水参数计算参考值(XlogP):-0.4

2、   氢键供体数量:3

3、   氢键受体数量:8

4、   可旋转化学键数量:4

5、   互变异构体数量:42

6、   拓扑分子极性表面积(TPSA):147

7、   重原子数量:24

8、   表面电荷:0

9、   复杂度:757

10、同位素原子数量:0

11、确定原子立构中心数量:4

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:1

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