(1R,2S,4R,5'S,6R,7R,8S,9R,12R,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-ol

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (1R,2S,4R,5'S,6R,7R,8S,9R,12R,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-ol
• 化学式: C₂₇H₄₃NO₂
• 分子量: 413.6
• InChiKey: KWVISVAMQJWJSZ-DWJZITEYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  30
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

ADMET

毒理性

• 非人类毒性摘录

SOLASODINE 通过灌胃方式给予怀孕第7或第8天的仓鼠，剂量为1184-1628毫克/千克。在存活的母仓鼠中，大约有1/3的胎仔出现了1个或更多的畸形后代。在屠宰时，727个后代中有50个异常。异常包括9例脊柱裂，13例严重脑外露，25例颅部隆起，2例兔唇和1例无眼畸形。在192只对照组母仓鼠的1948个后代中，有5个异常。

SOLASODINE WAS ADMIN BY GAVAGE TO HAMSTERS AT 1184-1628 MG/KG ONCE ON THE 7TH OR 8TH DAY OF GESTATION. ABOUT 1/3 OF ALL LITTERS FROM SURVIVING DAMS HAD 1 OR MORE DEFORMED OFFSPRING. THERE WERE 50 ABNORMALS AMONG 727 OFFSPRINGS AT SACRIFICE. ABNORMALITIES INCLUDED 9 SPINA BIFIDA, 13 MAJOR EXENCEPHALY, 25 CRANIAL BLEB, 2 HARELIP AND 1 ANOPHTHALMIC TYPES. THERE WERE 5 ABNORMALS AMONG 1948 OFFSPRINGS FROM 192 CONTROL DAMS.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

在大鼠中，整个孕期吸入番茄碱（0.1毫克/立方米）会增加死亡和被吸收的胎儿数量。它们的后代还观察到皮下细胞水肿、心脏和心房出血、第四脑室体积增大以及眼睛直径减小。

IN RATS, INHALATION OF SOLASODINE (0.1 MG/CU M) THROUGHOUT PREGNANCY INCR THE NUMBER OF DEAD AND RESORBED FETUSES. EDEMA OF SUBCUTANEOUS CELLS, HEMORRHAGE IN THE HEART AND ATRIUM, INCREASED SIZE OF FOURTH CEREBRAL VESICLE, AND A DECREASE IN THE DIAMETER OF THE EYE WERE ALSO OBSERVED IN THEIR OFFSPRING.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

长期给予碱酸脱氢酶（每两天20毫克/千克，连续30天）导致睾丸病变，严重影响了生精元素。附睾中无精子。雄激素产量减少反映在睾丸和附睾中唾酸含量低以及莱迪希细胞核萎缩。

CHRONIC ADMIN OF SOLASODINE (20 MG/KG EVERY OTHER DAY FOR 30 DAYS) CAUSED TESTICULAR LESIONS RESULTING IN A SEVERE IMPAIRMENT OF SPERMATOGENIC ELEMENTS. THE EPIDIDYMIDES WERE DEVOID OF SPERMATOZOA. REDUCED ANDROGEN PRODUCTION WAS REFLECTED IN LOW LEVELS OF SIALIC ACID IN THE TESTES AND EPIDIDYMIDES AND SHRUNKEN LEYDIG CELL NUCLEI.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

SOLASODINE 以剂量依赖性方式抑制植物血凝素诱导的小鼠淋巴细胞增殖。因此，SOLASODINE 表现出免疫抑制活性。

SOLASODINE INHIBITED MOUSE LYMPHOCYTE PROLIFERATION INDUCED BY PHYTOHEMAGGLUTININ IN A DOSE-DEPENDENT MANNER. THUS, SOLASODINE APPEARS TO HAVE IMMUNOSUPPRESSIVE ACTIVITY.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

标记过的薯蓣皂苷被注射到2个正常男性和叙利亚仓鼠体内。在这两个男性中，血液中的(3)H大部分与红细胞相关，8天后仍占剂量的3.3％；血浆中含有1.6％，尿液中有7％，粪便中有20％的剂量。8天后，仓鼠的(3)H排泄量降至非常低的水平，此时已有22-30％的剂量被排泄。未改变的薯蓣皂苷在给药后22天仍可在肝脏中检测到。

LABELED SOLASODINE WAS INJECTED INTO 2 NORMAL MEN AND INTO SYRIAN HAMSTERS. IN BOTH MEN, BLOOD (3)H WAS LARGELY ASSOCIATED WITH ERYTHROCYTES WHICH AFTER 8 DAYS STILL ACCOUNTED FOR 3.3% OF THE DOSE; PLASMA CONTAINED 1.6%, URINE 7% AND FECES 20% OF THE DOSE. EXCRETION OF (3)H BY HAMSTERS HAD DECLINED TO A VERY LOW LEVEL AFTER 8 DAYS WHEN 22-30% OF THE DOSE HAD BEEN EXCRETED. UNCHANGED SOLASODINE WAS STILL DETECTABLE IN LIVER 22 DAYS AFTER ADMIN.

来源:Hazardous Substances Data Bank (HSDB)