SML1768
Ximelagatran
≥98% (HPLC), Thrombin inhibitor, powder
别名:
H 376/95, N-[（1R）-1-环己基-2-[（2S）-2-[[[[[[4-[（羟氨基）亚氨基甲基]苯基]甲基]氨基]羰基] -1-氮杂环丁烷基] -2-氧代乙基] -甘氨酸乙酯
产品名称
Ximelagatran, ≥98% (HPLC)
SMILES string
N/C(C1=CC=C(CNC([C@@H]2CCN2C([C@@H](C3CCCCC3)NCC(OCC)=O)=O)=O)C=C1)=N/O
InChI
1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1
InChI key
ZXIBCJHYVWYIKI-PZJWPPBQSA-N
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 20 mg/mL, clear
storage temp.
−20°C
Quality Level
Biochem/physiol Actions
口服活性凝血酶直接抑制剂；美拉加群的前药。
它同时抑制凝块结合和游离凝血酶。它被小肠迅速吸收，并转化为其活性的二肽药物形式，美拉加群。美拉加群与凝血酶中的精氨酸侧袋结合并使其失活。希美加群的半衰期为 4-5 小时。每天口服两次。
希美加群是口服活性、选择性和有效的直接凝血酶抑制剂。希美加群是凝血酶抑制剂美拉加群的前药。
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
John J B
The Vein Book (2007)
Dukes M N G.
Side Effects of Drugs Annual: A world-wide yearly survey of new data and trends in adverse drug reactions. (1977)
Erik Sjögren et al.
Pharmaceutical research, 27(4), 597-607 (2010-02-09)
The double prodrug, ximelagatran, is bioconverted, via the intermediates ethylmelagatran and N-hydroxymelagatran, to the direct thrombin inhibitor, melagatran. The primary aim of this study was to investigate the hepatic metabolism and disposition of ximelagatran and the intermediates in pig. A
Stefan Russmann et al.
Hepatology (Baltimore, Md.), 52(2), 748-761 (2010-07-08)
Recent progress in research on drug-induced liver injury (DILI) has been determined by key developments in two areas. First, new technologies allow the identification of genetic risk factors with improved sensitivity, specificity, and efficiency. Second, new mechanistic concepts of DILI
Ximelagatran (Exanta): alternative to warfarin?
Vaughan C.
Proceedings (Baylor University. Medical Center), 18(1), 76- 80 (2005)
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