氨磷汀

氨磷汀 基本信息
CAS号 20537-88-6 分子式 C5H15N2O3PS
分子量 214.22300 精确质量 　214.05400
PSA 　130.69000 LogP 　0.84190
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 毒性 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
20537-88-6
3D弹球模型：
立即前往扯扯看
分子式：
C5H15N2O3PS
分子量：
214.22300
中文名称：
氨磷汀
英文名称：
amifostine
中文别名：
氨磷汀;
安磷汀;
S-2-[3-氨丙基胺]乙基硫代磷酸
英文别名：
amifostine;
2-(3-aminopropylamino)ethylsulfanylphosphonic acid;
Ethiofos;
Sapep;
Gammaphos;
Apaetp;
Aminopropylaminoethyl thiophosphate;
Ethyol;
WR 2721
精确分子量/精确质量：
214.05400
极性分子表面积/PSA：
130.69000
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：
MFCD00233058
PubChem：
24278231
InChI：
InChI=1/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)

生产制备方法及用途展开↓

合成制备方法

方法1：由丙二胺和环氧乙烷反应，生成N-羟乙基丙二胺，该化合物和氢溴酸作用，生成N-(2-溴乙基)丙二胺的二氢溴酸盐，最后和硫代磷酸钠十水物反应，得到氨磷汀一水合物。

方法2：化合物(Ⅰ)和化合物(Ⅱ)反应，生成物(Ⅲ)以氢溴酸-乙酸作用，转化为化合物(Ⅳ)和化合物(Ⅴ)，接着和(Ⅵ)反应，即得氨磷汀。


用途

1.    化学治疗细胞保护药和放疗保护剂，在放疗或化疗过程中，在杀伤癌细胞时能够选择性地保护正常组织细胞，使患者能连续接受治疗。用于解除抗癌药的肾毒，预防放疗引起的造血系统、免疫损伤等毒副反应有一定的效果，也用于减少和中性白细胞减少症相关的感染。

2.细胞保护剂，用于化疗对肾、骨髓、心脏的保护

物化性质展开↓

外观与性状：
白色固体
密度：
1.367 g/cm3
熔点：
160-161ºC
沸点：
441.7ºC at 760 mmHg
闪点：
220.9ºC
存储条件/存储方法：
库房通风低温干燥
稳定性相关：

 

其它信息：

1.性状：白色固体

2.熔点：160~161

3.溶解性：易溶于水

安全信息展开↓

海关代码：
2930909090
危险类别码：
R22
安全说明：
S26-S36
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志：
Xn:Harmful

合成路线查看所有的合成路线

  • 23545-42-8

    N-(2-溴乙基)-1,3-丙二胺二氢溴酸盐

  • →

    ~92%

  • 20537-88-6

    氨磷汀

  • 23545-38-2

    23545-38-2

  • →

  • 20537-88-6

    氨磷汀

  • 23545-33-7

    23545-33-7

  • →

  • 20537-88-6

    氨磷汀

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TE6491000
CHEMICAL NAME :
Phosphorothioic acid, S-(2-(3-aminopropylamino)ethyl) ester
CAS REGISTRY NUMBER :
20537-88-6
LAST UPDATED :
199801
DATA ITEMS CITED :
24
MOLECULAR FORMULA :
C5-H15-N2-O3-P-S
MOLECULAR WEIGHT :
214.25
WISWESSER LINE NOTATION :
Z3M2SPQQO

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
11 mg/kg
TOXIC EFFECTS :
Gastrointestinal - nausea or vomiting Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Nutritional and Gross Metabolic - changes in calcium
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
826 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 :
418 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 :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
396 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 :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
842 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 :
321 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 :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
557 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
514 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 :
Mammal - dog
DOSE/DURATION :
279 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia Nutritional and Gross Metabolic - body temperature decrease
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
>10 gm/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 - guinea pig
DOSE/DURATION :
635 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 - guinea pig
DOSE/DURATION :
407 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
21 gm/kg/5W-I
TOXIC EFFECTS :
Cardiac - pulse rate Vascular - BP lowering not characterized in autonomic section Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
300 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
50 mg/kg
SEX/DURATION :
female 11 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 :
Intravenous
DOSE :
550 mg/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
300 mg/kg
SEX/DURATION :
female 17-22 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - stillbirth
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
1350 mg/kg
SEX/DURATION :
female 17-22 day(s) after conception lactating female 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
1300 mg/kg
SEX/DURATION :
female 17-22 day(s) after conception lactating female 7 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
1100 mg/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
650 mg/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
65 mg/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - body wall
TYPE OF TEST :
Micronucleus test

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
REFERENCE :
CUSCAM Current Science. (Current Science Assoc., Sadashivanagar P.O., Bangalore 560 080, India) V.1- 1932- Volume(issue)/page/year: 54,1080,1985
毒理学数据：

腹腔-大鼠LD50: 418 毫克/公斤; 口服-小鼠LD50: 842毫克/公斤

海关数据查看详细

中国海关编码：2930909090

概述：
2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:-4.5

2.氢键供体数量:4

3.氢键受体数量:6

4.可旋转化学键数量:7

5.互变异构体数量:无

6.拓扑分子极性表面积121

7.重原子数量:12

8.表面电荷:0

9.复杂度:152

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:1

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  • 23545-42-8

    N-(2-溴乙基)-1,3-丙二胺二氢溴酸盐

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