cas号： 481-49-2 ，名称：千金藤素的性质/作用/用途-化学加百科

千金藤素

千金藤素基本信息
CAS号	481-49-2	分子式	C37H38N2O6
分子量	606.70700	精确质量	606.27300
PSA	61.86000	LogP	6.74970

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等价的CAS号：

481-49-2,16010-90-5,16103-75-6

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基本信息制备方法与用途物化性质合成路线毒性结构与计算数据

基本信息展开↓

CAS号：: 481-49-2
3D弹球模型：: 立即前往扯扯看
分子式：: C37H38N2O6
分子量：: 606.70700
中文名称：: 千金藤素
英文名称：: Cepharanthine
中文别名：: 千金藤素;
金藤素;
盐酸氯吉兰;
千金藤碱
英文别名：: Cepharanthine;
Stephanotis;
CEPHARANTHINUM;
o-methylcepharanoline;
6,7-methanediyldioxy-6',12'-dimethoxy-2,2'-dimethyl-oxyacanthane;
Cepharanthin;
6',12'-dimethoxy-2,2'-dimethyl-6,7-[methylenebis-(oxy)]oxyacanthan;
[methylenebis(oxy)];
CEPHARANTHINE (RG);
sepharanthine;
cepharantin
精确分子量/精确质量：: 606.27300
极性分子表面积/PSA：: 61.86000
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。
InChI：: InChI=1/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3

生产制备方法及用途展开↓

制备方法

1.取地不容根粉1kg,用0.6L 5% Na2CO3溶液润湿后放置2h,晾干,使植物组织充分吸收碱液。然后用苯1.5L浸泡3天后过滤,残渣用苯再泡2天,过滤后再用同量的苯浸泡一次,收集合并3次苯液,用10%盐酸萃取,在酸萃取过程中有大量白色粥样物析出,极易乳化。苯液用酸萃取至不含生物碱为止,萃取的酸液用饱和Na2CO3液碱化,碱化液再用氯仿萃取4次,合并氯仿萃取液,用无水硫酸钠干燥。蒸馏回收氯仿,得淡黄色泡沫状总生物碱,重17.5g左右。再将总碱溶于35ml丙酮中,放置2h,可析出白色针状结晶,过滤,用少量丙酮洗1次,干燥后得轮环藤碱1.8g。取上述丙酮母液加苯2.5ml,放置过夜,析出柱状结晶,过滤,再用丙酮洗一次,干燥后得千金藤素苯加成物6.8g。再将其溶于氯仿,通过氧化铝层析柱(1g生物碱用3g氧化铝),浓缩,所得沉淀过滤和干燥后得淡黄色泡沫状无定形粉末,即为千金藤素。

合成制备方法

1.取地不容根粉1kg，用0.6L 5% Na2CO3溶液润湿后放置2h，晾干，使植物组织充分吸收碱液。然后用苯1.5L浸泡3天后过滤，残渣用苯再泡2天，过滤后再用同量的苯浸泡一次，收集合并3次苯液，用10%盐酸萃取，在酸萃取过程中有大量白色粥样物析出，极易乳化。苯液用酸萃取至不含生物碱为止，萃取的酸液用饱和Na2CO3液碱化，碱化液再用氯仿萃取4次，合并氯仿萃取液，用无水硫酸钠干燥。蒸馏回收氯仿，得淡黄色泡沫状总生物碱，重17.5g左右。再将总碱溶于35ml丙酮中，放置2h，可析出白色针状结晶，过滤，用少量丙酮洗1次，干燥后得轮环藤碱1.8g。

取上述丙酮母液加苯2.5ml，放置过夜，析出柱状结晶，过滤，再用丙酮洗一次，干燥后得千金藤素苯加成物6.8g。再将其溶于氯仿，通过氧化铝层析柱(1g生物碱用3g氧化铝)，浓缩，所得沉淀过滤和干燥后得淡黄色泡沫状无定形粉末，即为千金藤素。

用途简介

1.临床上试用于防治化疗和放疗引起的白细胞减少症。

用途

1.临床上试用于防治化疗和放疗引起的白细胞减少症。

物化性质展开↓

外观与性状：: 黄色粉末
密度：: 1.227 g/cm3
熔点：: 140 - 145ºC
折射率：: 1.608
存储条件/存储方法：: 库房低温通风干燥
稳定性相关：: 按规格使用和贮存，不会发生分解，避免与氧化物接触
其它信息：: 1.       性状：淡黄色或黄色粉末
2.       密度（g/ m³,25/4℃）：未确定
3.       相对蒸汽密度（g/cm³,空气=1）：未确定
4.       熔点（ºC）：148-150
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）：［α］20D为+277°(氯仿2%)。
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：易溶于酸性水溶液和乙醚、丙酮等有机溶剂，难溶于石油醚。

合成路线查看所有的合成路线

1431330-90-3

cepharanthine-2'beta-N-oxide
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481-49-2

千金藤素

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: FK0527000

CHEMICAL NAME :: Cepharanthine

CAS REGISTRY NUMBER :: 481-49-2

BEILSTEIN REFERENCE NO. :: 0075231

LAST UPDATED :: 199807

DATA ITEMS CITED :: 14

MOLECULAR FORMULA :: C37-H38-N2-O6

MOLECULAR WEIGHT :: 606.77

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 :: 2 gm/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - chronic pulmonary edema Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 16,3855,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >155 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,648,1995

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 16,3855,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 57 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 16,3855,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1900 mg/kg

TOXIC EFFECTS :: Skin and Appendages - hair

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 16,3855,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 125 mg/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 24,2413,1976

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 16,3855,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 43500 ug/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - chronic pulmonary edema

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 16,3855,1982 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5400 mg/kg/30D-C

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - other changes Liver - other changes Blood - changes in spleen

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 16,3855,1982

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3640 mg/kg/26W-C

TOXIC EFFECTS :: Liver - other changes Kidney, Ureter, Bladder - other changes Kidney, Ureter, Bladder - other changes

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 16,3855,1982

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1200 mg/kg/30D-C

TOXIC EFFECTS :: Cardiac - other changes Lungs, Thorax, or Respiration - other changes Endocrine - other changes

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 16,3855,1982 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 182 mg/kg

SEX/DURATION :: male 26 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 16,3855,1982

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 182 mg/kg

SEX/DURATION :: female 26 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - uterus, cervix, vagina

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 16,3855,1982

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 1200 mg/kg

SEX/DURATION :: female 30 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - uterus, cervix, vagina

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 16,3855,1982

毒理学数据：

生态数据：

该物质对环境可能有危害，对水体应给予特别注意。

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：170.93

2、摩尔体积（cm³/mol）：494.2

3、等张比容（90.2K）：1280.8

4、表面张力（dyne/cm）：45.0

5、极化率（10^-24cm³）：67.76

计算化学数据

1.疏水参数计算参考值（XlogP）:6.5

2.氢键供体数量:0

3.氢键受体数量:8

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积61.9

7.重原子数量:45

8.表面电荷:0

9.复杂度:994

10.同位素原子数量:0

11.确定原子立构中心数量:2

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