Tìm theo
Vapreotide
Các tên gọi khác (2) :
  • Vapreotida
  • Vapreotidum
Thuốc điều trị ung thư
Thuốc Gốc
Small Molecule
CAS: 103222-11-3
ATC: H01CB04
CTHH: C57H70N12O9S2
PTK: 1131.371
Vapreotide is a synthetic octapeptide somatostatin analog. It was being studied for the treatment of cancer.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C57H70N12O9S2
Phân tử khối
1131.371
Monoisotopic mass
1130.483013278
InChI
InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)28-37-26-35-14-6-8-16-41(35)62-37)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-38(70)22-20-34)53(74)66-46(27-36-29-61-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,26,29,32,40,43-49,61-62,70H,10-11,18,23-25,27-28,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)
InChI Key
InChIKey=GAWXLRUZZFSQON-UHFFFAOYSA-N
IUPAC Name
2-amino-N-[10-(4-aminobutyl)-4-{[1-carbamoyl-2-(1H-indol-2-yl)ethyl]carbamoyl}-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]-3-phenylpropanamide
Traditional IUPAC Name
2-amino-N-[10-(4-aminobutyl)-4-{[1-carbamoyl-2-(1H-indol-2-yl)ethyl]carbamoyl}-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-7-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]-3-phenylpropanamide
SMILES
CC(C)C1NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CSSCC(NC1=O)C(=O)NC(CC1=CC2=CC=CC=C2N1)C(N)=O)NC(=O)C(N)CC1=CC=CC=C1
Độ hòa tan
3.99e-03 g/l
logP
0.76
logS
-5.5
pKa (strongest acidic)
9.43
pKa (Strongest Basic)
10.26
PSA
350.64 Å2
Refractivity
306.2 m3·mol-1
Polarizability
118.82 Å3
Rotatable Bond Count
18
H Bond Acceptor Count
11
H Bond Donor Count
13
Physiological Charge
2
Number of Rings
7
Bioavailability
0
MDDR-Like Rule
true
Dược Lực Học : Vapreotide is a somatostatin analog with a higher metabolic stability than the parent hormone. Vapreotide reduces splanchnic blood flow; inhibits growth hormone release, and inhibits the release of peptides and vasoactive compounds from neuroendocrine tumors.
Cơ Chế Tác Dụng : Vapreotide is a synthetic octapeptide somatostatin analog. It was being studied for the treatment of cancer. The exact mechanism of action is unknown, although one study has provided in vitro and in vivo evidence for a tachykinin NK1 receptor antagonist effect in the analgesic effects of vapreotide (PMID: 7556407).
Dược Động Học :

▧ Route of Elimination :
Vapreotide is 76% eliminated in bile. The remainder is renally eliminated.
▧ Half Life :
30 minutes
Độc Tính : Safety data are limited, however, headache, fatigue, diarrhea, nausea, vomiting, and abdominal pain have been reported commonly with the use of vapreotide.
Chỉ Định : For the treatment of esophageal variceal bleeding in patients with cirrhotic liver disease and has also shown efficacy in the treatment of patients with AIDS-related diarrhea.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Octastatin
  • Công ty :
    Sản phẩm biệt dược : Sanvar
  • Công ty :
    Sản phẩm biệt dược : Sanvar IR
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04894
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=23725064
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506923
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D06281
ChemSpider
http://www.chemspider.com/Chemical-Structure.64425.html
PharmGKB
http://www.pharmgkb.org/drug/PA164743146
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