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上海阿拉丁生化科技股份有限公司
上海市上海市浦东新区
产品名：α-茄碱
纯度：95.0%
规格：5mg/10mg/1g/1g
联系人：阿拉丁李高志
联系电话：400-620-6333

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20562-02-1生产厂家

20562-02-1价格

20562-02-1

20562-02-1结构式

常用中文名：alpha-茄碱
常用英文名：alpha-Solanine
CAS号：20562-02-1
分子式：C₄₅H₇₃NO₁₅
分子量：868.059
相关类别：原料药抗生素类药物其它抗生素类药
发布时间：2018-10-02 19:05:44
更新时间：2024-01-02 12:32:11
α-solanine 是马铃薯中的一种生物活性成分,是主要的甾体类生物碱之一,可抑制癌细胞的生长并诱导其凋亡 (apoptosis)。

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中文名	A-茄碱
英文名	solanine
中文别名	α-茄啶
英文别名	SOLATUNINE β-D-Galactopyranoside, (3β)-solanid-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->3)]- MFCD00077873 alpha-Solanine α-SOLANINE Solanine SOLATUNIN a-Solanine (3β)-Solanid-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranoside EINECS 243-879-8

描述	α-solanine 是马铃薯中的一种生物活性成分,是主要的甾体类生物碱之一,可抑制癌细胞的生长并诱导其凋亡 (apoptosis)。
相关类别	信号通路 >> 细胞凋亡 >> 细胞凋亡研究领域 >> 癌症
参考文献	[1]. Lei Wang , et al. Inhibitory Effect of α-Solanine on Esophageal Carcinoma in vitro. Exp Ther Med. 2016 Sep;12(3):1525-1530.

密度	1.4±0.1 g/cm3
沸点	780.78°C (rough estimate)
熔点	285℃ (dec.)
分子式	C₄₅H₇₃NO₁₅
分子量	868.059
精确质量	867.498047
PSA	240.69000
LogP	5.67
外观性状	白色至米白色固体
折射率	1.631
储存条件	充氩密封0ºC以下干燥避光保存。
分子结构	1、摩尔折射率：219.35 2、摩尔体积(m³/mol)：615.6 3、等张比容(90.2K)：1796.6 4、表面张力(dyne/cm)：72.5 5、极化率(10-24cm³)：86.95
计算化学	1、疏水参数计算参考值（XlogP）:1.8 2、氢键供体数量：9 3、氢键受体数量：16 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）:241 7、重原子数量：61 8、表面电荷：0 9、复杂度：1590 10、同位素原子数量：0 11、确定原子立构中心数量：25 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
更多	1.性状：结晶。 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）：286 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：易溶于热乙醇，几乎不溶于水、乙醚和氯仿。

CHEMICAL IDENTIFICATION

RTECS NUMBER :: WF0250000

CHEMICAL NAME :: Solanid-5-ene, 3-beta-((O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(be ta-D-glucopyranosyl- (1-3))-beta-D-galactopyranosyl)oxy)-

CAS REGISTRY NUMBER :: 20562-02-1

BEILSTEIN REFERENCE NO. :: 0077607

LAST UPDATED :: 199612

DATA ITEMS CITED :: 19

MOLECULAR FORMULA :: C45-H73-N-O15

MOLECULAR WEIGHT :: 868.19

WISWESSER LINE NOTATION :: T H6 F5 E5 B666 MN SUTJ A1 E1 G1 K1 VO- BT6OTJ EQ F1Q CO- BT6OTJ CQ DQ EQ F1& DO- BT6OTJ CQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human

DOSE/DURATION :: 2800 ug/kg

TOXIC EFFECTS :: Behavioral - headache Gastrointestinal - gastritis Nutritional and Gross Metabolic - body temperature increase

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 2941 ug/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 :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 590 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 :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 67 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 :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 32 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 20 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory stimulation

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 5 mg/kg

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 10 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory stimulation

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - domestic

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Cardiac - pulse rate increase, without fall in BP Lungs, Thorax, or Respiration - cyanosis

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - domestic

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Cardiac - pulse rate increase, without fall in BP Lungs, Thorax, or Respiration - cyanosis

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 80 mg/kg/2D-I

TOXIC EFFECTS :: Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 40 mg/kg

SEX/DURATION :: female 5-12 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - urogenital system Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 40 mg/kg

SEX/DURATION :: female 5-12 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 80 mg/kg

SEX/DURATION :: female 5-12 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 100 mg/kg

SEX/DURATION :: female 7-11 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - other measures of fertility

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 200 mg/kg

SEX/DURATION :: female 8 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - Central Nervous System

MUTATION DATA

TEST SYSTEM :: Rodent - mouse

DOSE/DURATION :: 330 mg/kg/3D (Continuous)

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 33,191,1995 *** REVIEWS *** TOXICOLOGY REVIEW FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,61,1979

符号	GHS07
信号词	Warning
危害声明	H302
个人防护装备	dust mask type N95 (US);Eyeshields;Gloves
危害码 (欧洲)	Xn: Harmful;
风险声明 (欧洲)	22
安全声明 (欧洲)	S1;S25;S45
危险品运输编码	UN 1544
WGK德国	3
RTECS号	WF0250000
包装等级	III
危险类别	6.1(b)