Tìm theo
Ximelagatran
Các tên gọi khác (7 ) :
  • Ethyl 2-[[(1R)-1-cyclohexyl-2- [(2S)-2-[[4-(n'-hydroxycarbamimidoyl) phenyl]methylcarbamoyl]azetidin-1-yl]- 2-oxo-ethyl]amino]acetate
  • Exanta
  • Exarta
  • H 376-95
  • H 376/95
  • H 37695
  • Ximelagatranum
antithrombins
Thuốc Gốc
Small Molecule
CAS: 192939-46-1
ATC: B01AE05
CTHH: C24H35N5O5
PTK: 473.5652
Ximelagatran (Exanta® or Exarta®, H 376/95) is an anticoagulant that has been investigated extensively as a replacement for warfarin that would overcome the problematic dietary, drug interaction, and monitoring issues associated with warfarin therapy. In 2006, its manufacturer AstraZeneca announced that it would not attempt to market ximelagatran after reports of hepatotoxicity (liver damage) during trials, and to discontinue its distribution in countries where the drug had been approved.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C24H35N5O5
Phân tử khối
473.5652
Monoisotopic mass
473.263819255
InChI
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
InChIKey=ZXIBCJHYVWYIKI-PZJWPPBQSA-N
IUPAC Name
ethyl 2-{[(1R)-1-cyclohexyl-2-[(2S)-2-[({4-[(Z)-N'-hydroxycarbamimidoyl]phenyl}methyl)carbamoyl]azetidin-1-yl]-2-oxoethyl]amino}acetate
Traditional IUPAC Name
ximelagatran
SMILES
CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCC1=CC=C(C=C1)C(\N)=N\O)C1CCCCC1
Độ hòa tan
8.45e-02 g/l
logP
0.87
logS
-3.8
pKa (strongest acidic)
9.64
pKa (Strongest Basic)
5.48
PSA
146.35 Å2
Refractivity
126.57 m3·mol-1
Polarizability
52.15 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Cơ Chế Tác Dụng : Ximelagatran (Exanta® or Exarta®, H 376/95) is an anticoagulant that has been investigated extensively as a replacement for warfarin that would overcome the problematic dietary, drug interaction, and monitoring issues associated with warfarin therapy. In 2006, its manufacturer AstraZeneca announced that it would not attempt to market ximelagatran after reports of hepatotoxicity (liver damage) during trials, and to discontinue its distribution in countries where the drug had been approved. Ximelagatran was the first member of the drug class of direct thrombin inhibitors that can be taken orally. It acts solely by inhibiting the actions of thrombin. Ximelagatran is a prodrug, being converted in vivo to the active agent melagatran.
Dược Động Học :
▧ Absorption :
Rapidly absorbed by the small intestine with an oral bioavailability of 20%.
▧ Metabolism :
Hepatic. Ximelagatran is a prodrug, being converted in vivo to the active agent melagatran. This conversion takes place in the liver and many other tissues through dealkylation and dehydroxylation (replacing the ethyl and hydroxyl groups with hydrogen).
▧ Half Life :
3-5 hours
Độc Tính : Hepatotoxicity (liver damage) was reported during trials.
Chỉ Định : For the treatment of acute deep vein thrombosis.
Liều Lượng & Cách Dùng : Tablet - Oral
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Exanta
  • Công ty :
    Sản phẩm biệt dược : Exarta
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04898
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=9574101
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46509040
ChemSpider
http://www.chemspider.com/Chemical-Structure.7848559.html
PharmGKB
http://www.pharmgkb.org/drug/PA161748474
Wikipedia
http://en.wikipedia.org/wiki/Ximelagatran
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