CAS: 508-77-0; Cymarin

该化合物是一个化学化合物,被归类为心脏胶质,主要来源于Digitalis purpurea植物物种,通常称为Foxglove.它展示了一种结构,其特征为固态核,具有甘醇环的典型性.Cymarin以其药理效应而著称,特别是其通过增加心脏收缩力和调控心脏节奏来影响心脏功能的能力,使其与某些心脏状况的治疗相关.该化合物通过抑制纳+/K+ ATPase酶,导致心脏细胞细胞内细胞内钙含量增加.除了治疗用途外,西马林在高剂量下也可能有毒,导致诸如恶心,呕吐和亚体膜等症状.它在临床环境中受到仔细监测,而且有必要考虑与其他药物的潜在相互作用.

英文名称Cymarin
中文名称罗布麻苷
IUPAC名称(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
其它别名20(22),5BETA-CARDENOLID-19-AL-3BETA,5BETA,14BETA-TRIOL 3BETA-MIXED GLYCOSIDES; CIMARIN; CYMARIN; CYMARINE; K STROPHANTHIN; K-STROPHANTHIN-A; K-STROPHANTHIN-ALPHA; K-STROPHANTHIDIN-D-CYMAROSIDE
CAS编号508-77-0
MFCD编号:MFCD00003669
EINECS号:208-087-9
FDA UNII编号:UK3LS8435E
分子式:C30H44O9
分子量:548.66
产品CID: 1497248
产品分类生物化工 → 中草药成分

相似结构搜索
InChIKey: XQCGNURMLWFQJR-ZNDDOCHDSA-N
InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)1…
计算化学: 氢键受体数9.0氢键供体数3.0可旋转键数5.0

物理性质

熔点148 °C
沸点722.1 °Cat 760 mmHg
闪点232.7 °C
密度1.31 g/cm3
PH:D20 +39.2° (methanol); D22 +39.0° (c = 1.7 in chloroform)
pKa:13.55±0.70(预测)
PSA:131.75
LogP:2.4333
折射率1.589
蒸汽压4.46E-24 mmHg at 25 °C
敏感性按规格使用和贮存，不会发生分解，避免与氧化物接触
外观形态白色至类白色固体
储存条件2-8°C
产品应用该化合物用于研究心液边对血管滑动肌肉和离子传输的影响.

MSDS等安全信息

GHS象形图
GHS符号GHS06 & GHS08;
注释: Skull and crossbones & Health hazard
危险类别急性毒性类别3(吸入)
急性毒性类别3(经口)
特定目标器官毒性-重复接触类别2
警示词Danger(危险)
危险描述H331 |吸入会中毒.
H301 |吞咽会中毒.
H373 |长期或反复接触可能损害器官.
防范说明P301+P310+P330-P304+P340+P311-P314
危险等级6.1(b)
UN编号UN 3462 6.1/PG 2
危险品标志T,T+
包装等级III
安全声明45-36/37/39-36/37-28-26
危险类别码23/25-33-26/27/28-41
WGK Germany3

欧盟法规

ECHA物质ECHA物质C&L通报REACH预注册

合成工艺路线路线简述

Alkaline Earth Salt Of/the/ Methylsulfuric Acid 反应生成罗布麻苷
参考文献:烯醇内酯被微生物转化iii.用镰刀镰刀菌(bolley)实现糖苷配基和糖苷.4.与微生物反应的通知† ‡
标题:烯醇内酯被微生物转化iii.用镰刀镰刀菌(bolley)实现糖苷配基和糖苷.4.与微生物反应的通知† ‡
摘要:研究了各种类数字化糖苷配基和糖苷对镰刀镰刀菌(bolley)培养物的行为.
DOI:10.1002/hlca.19590420123

海关参考信息

2901210000-乙烯
2901220000-丙烯
2905122000-异丙醇
2905143000-叔丁醇
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-10925977-B2
优先权日:2006-10-05
标题 :Efficient synthesis of chelators for nuclear imaging and radiotherapy: compositions and applications
发明人：YANG DAVID J; YU DONGFANG; THOMPSON ANDREW S
权利人:YANG DAVID J; YU DONGFANG; THOMPSON ANDREW S; CEIL POINT LLC; UNIV TEXAS
摘要:Novel methods of synthesis of chelator-targeting ligand conjugates, compositions comprising such conjugates, and therapeutic and diagnostic applications of such conjugates are disclosed. The compositions include chelator-targeting ligand conjugates optionally chelated to one or more metal ions. Methods of synthesizing these compositions in high purity are also presented. Also disclosed are methods of imaging, treating and diagnosing disease in a subject using these novel compositions, such as methods of imaging a tumor within a subject and methods of diagnosing myocardial ischemia.

专利号:AU-2007308022-A2
优先权日:2006-10-05
标题 :Efficient synthesis of chelators for nuclear imaging and radiotherapy: compositions and applications

专利号:AU-2007308022-A1
优先权日:2006-10-05
标题 :Efficient synthesis of chelators for nuclear imaging and radiotherapy: compositions and applications

专利号:US-2008107598-A1
优先权日:2006-10-05
标题:Efficient Synthesis of Chelators for Nuclear Imaging and Radiotherapy: Compositions and Applications

专利号:AU-2007308022-B2
优先权日:2006-10-05
标题 :Efficient synthesis of chelators for nuclear imaging and radiotherapy: compositions and applications

专利号:CA-2664826-C
优先权日:2006-10-05
标题 :Efficient synthesis of chelators for nuclear imaging and radiotherapy: compositions and applications