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Merck
CN

37100

地高辛

≥95.0% (HPLC)

别名:

异羟基洋地黄毒苷

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经验公式(希尔记法):
C41H64O14
化学文摘社编号:
分子量:
780.94
EC Number:
244-068-1
UNSPSC Code:
85151701
PubChem Substance ID:
Beilstein/REAXYS Number:
77011
MDL number:
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assay

≥95.0% (HPLC)

optical activity

[α]20/D +11.5±1.5°, c = 10% in pyridine

ign. residue

≤0.1%

loss

≤1% loss on drying, 110 °C

SMILES string

C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]3[C@@H](O)C[C@@H](O[C@@H]3C)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4

InChI

1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1

InChI key

LTMHDMANZUZIPE-PUGKRICDSA-N

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Biochem/physiol Actions

一种强心苷,P-糖蛋白 (Pgp) 的底物。
一种强心苷,P-糖蛋白的底物,上调 Pgp 表达和下调 SXR(固醇类异生物受体)。

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Mauro Gobbini et al.
Journal of medicinal chemistry, 51(15), 4601-4608 (2008-07-22)
We report the synthesis and biological properties of novel inhibitors of the Na(+),K(+)-ATPase as positive inotropic compounds. Following our previously described model from which Istaroxime was generated, the 5alpha,14alpha-androstane skeleton was used as a scaffold to study the space around
Brian Dyck et al.
Journal of medicinal chemistry, 51(22), 7265-7272 (2008-10-29)
Thien-2-yl 1S,2R-milnacipran analogues were synthesized and characterized as norepinephrine/serotonin transporter inhibitors. These compounds possessed higher potencies than 1S,2R-milnacipran (2R-1) while maintaining low molecular weight and moderate lipophilicity, which are the important features for the pharmacological and pharmacokinetic characteristics of milnacipran
Mauro Gobbini et al.
Bioorganic & medicinal chemistry, 18(12), 4275-4299 (2010-05-25)
We report the synthesis and biological properties of novel analogues of Istaroxime acting as positive inotropic compounds through the inhibition of the Na(+),K(+)-ATPase. We explored the chemical space around the position 6 of the steroidal scaffold by changing the functional
W Edward Martucci et al.
Bioorganic & medicinal chemistry letters, 19(2), 418-423 (2008-12-09)
The essential enzyme thymidylate synthase-dihydrofolate reductase (TS-DHFR) is a validated drug target for many pathogens, but has been elusive in Cryptosporidium hominis, as active site inhibitors of the enzymes from related parasitic protozoa show decreased potency and lack of species
Jenny Felth et al.
Journal of natural products, 72(11), 1969-1974 (2009-11-10)
Cardiac glycosides have been reported to exhibit cytotoxic activity against several different cancer types, but studies against colorectal cancer are lacking. In a screening procedure aimed at identifying natural products with activity against colon cancer, several cardiac glycosides were shown

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货号GTIN
PH014759-100MG04061831280296

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