卡波醌
- 中文名称：
- 卡波醌
- 中文别名：
- 卡波醌;
咔巴醌;
顺铂USP24;
2,5-双(1-氮丙啶)-3-(1-甲氧基-2-氨基甲酰氧乙基)-6-甲基-1,4-苯醌
- 英文名称：
- 2,5-Cyclohexadiene-1,4-dione,2-[2-[(aminocarbonyl)oxy]-1-methoxyethyl]-3,6-bis(1-aziridinyl)-5-methyl-
- 英文别名：
- [2-[2,5-bis(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-methoxyethyl] carbamate;
Esquinon;
Carbaziloquinone;
Carbazilequinone;
2,5-bis-aziridin-1-yl-3-(2-carbamoyloxy-1-methoxy-ethyl)-6-methyl-[1,4]benzoquinone;
carboquone;
Carboquonum [INN-Latin];
Carboquona [INN-Spanish];
Carbazilquinone;
Carboquone [INN:JAN];
2,5-bis(1-aziridinyl)-3-(2-carbamoyloxy-1-methoxyethyl)-6-methyl-1,4-benzoquinone
- CAS No.：
- 24279-91-2
- 分 子 式：
-
C15H19N3O5
- 分 子 量：
- 321.37
- 精确分子量：
- 321.13200
- PSA：
- 101.71000
- InChI：
- The Key: SHHKQEUPHAENFK-UHFFFAOYSA-N3
- 安全术语：
- A poison via ingestion, intraperitoneal, subcutaneous, and intravenous routes. Mutation data reported. When heated to decomposition it emits toxic NOx. See also CARBAMATES.
- 分子结构式：
-
- SDS：
- 查看
卡波醌 制备方法及用途
制备方法
将200mg2-甲基-5-(1-甲氧基-2-氨基甲酰氧乙基)-1,4-苯醌,加于10ml乙醇中加热溶解。冷却后再加入0.5ml氮丙啶。将此混合物冷却至5-8℃,放置4d,析出结晶,过滤,用乙醇洗涤,得50mg卡巴醌。
用途简介
该品为抗肿瘤药。小鼠静脉注射LD50为6.09mg/kg,口服30.8mg/kg;雄大鼠静脉注射3.88mg/kg,口服28.0mg/kg。
卡波醌 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DK3400000
- CHEMICAL NAME :
- p-Benzoquinone,
2,5-bis(1-aziridinyl)-3-(2-hydroxy-1-methoxyethyl)-6-
methyl-, carbamate
- CAS REGISTRY NUMBER :
- 24279-91-2
- BEILSTEIN REFERENCE NO. :
- 1400765
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 19
- MOLECULAR FORMULA :
- C15-H19-N3-O5
- MOLECULAR WEIGHT :
- 321.37
- WISWESSER LINE NOTATION :
- T3NTJ A- BL6V DVJ C1 FYO1&1OVZ E- AT3NTJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 27300 ug/kg
- TOXIC EFFECTS :
- Gastrointestinal - hypermotility, diarrhea
Skin and Appendages - hair
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3070 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3990 ug/kg
- TOXIC EFFECTS :
- Gastrointestinal - hypermotility, diarrhea
Skin and Appendages - hair
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3620 ug/kg
- TOXIC EFFECTS :
- Gastrointestinal - hypermotility, diarrhea
Skin and Appendages - hair
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 28600 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Gastrointestinal - hypermotility, diarrhea
Skin and Appendages - hair
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3440 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Skin and Appendages - hair
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4900 ug/kg
- TOXIC EFFECTS :
- Gastrointestinal - hypermotility, diarrhea
Skin and Appendages - hair
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 5430 ug/kg
- TOXIC EFFECTS :
- Gastrointestinal - hypermotility, diarrhea
Skin and Appendages - hair
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 35 mg/kg/5W-C
- TOXIC EFFECTS :
- Liver - changes in liver weight
Endocrine - changes in spleen weight
Related to Chronic Data - changes in testicular weight
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 42 mg/kg/6W-C
- TOXIC EFFECTS :
- Endocrine - changes in spleen weight
Endocrine - changes in thymus weight
Related to Chronic Data - changes in testicular weight
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 7 mg/kg/5W-C
- TOXIC EFFECTS :
- Endocrine - changes in spleen weight
Endocrine - changes in thymus weight
Related to Chronic Data - changes in uterine weight
- TYPE OF TEST :
- DNA damage
MUTATION DATA
- TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - hamster Lung
- DOSE/DURATION :
- 10 ug/L
- REFERENCE :
- CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year:
44,3270,1984
卡波醌 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:无
2.氢键供体数量:1
3.氢键受体数量:7
4.可旋转化学键数量:7
5.互变异构体数量:6
6.拓扑分子极性表面积:102
7.重原子数量:23
8.表面电荷:0
9.复杂度:644
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:1
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
