Tìm theo
Biricodar dicitrate
Các tên gọi khác (1) :
  • biricodar
Thuốc Gốc
Small Molecule
CAS: 174254-13-8
CTHH: C46H57N3O21
PTK: 987.9523
The pipecolinate derivative biricodar (VX-710) is a clinically applicable modulator of P-glycoprotein (Pgp) and multidrug resistance protein (MRP-1).
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C46H57N3O21
Phân tử khối
987.9523
Monoisotopic mass
987.348455901
InChI
InChI=1S/C34H41N3O7.2C6H8O7/c1-41-29-20-26(21-30(42-2)32(29)43-3)31(38)33(39)37-19-5-4-16-28(37)34(40)44-27(14-6-10-24-12-8-17-35-22-24)15-7-11-25-13-9-18-36-23-25;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,12-13,17-18,20-23,27-28H,4-7,10-11,14-16,19H2,1-3H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t28-;;/m0../s1
InChI Key
InChIKey=VDMKJSJJXQDICL-ZXVJYWQYSA-N
IUPAC Name
bis(2-hydroxypropane-1,2,3-tricarboxylic acid) 1,7-bis(pyridin-3-yl)heptan-4-yl (2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
Traditional IUPAC Name
biricodar; bis(citric acid)
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.OC(=O)CC(O)(CC(O)=O)C(O)=O.COC1=CC(=CC(OC)=C1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCC1=CN=CC=C1)CCCC1=CN=CC=C1
logP
4.77
pKa (Strongest Basic)
5.86
PSA
117.15 Å2
Refractivity
164.5 m3·mol-1
Polarizability
64.13 Å3
Rotatable Bond Count
26
H Bond Acceptor Count
8
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
4
Bioavailability
0
MDDR-Like Rule
true
Dược Lực Học : Biricodar dicitrate blocks two major multi-drug resistance mechanisms: P-glycoprotein (MDR-1) and multi-drug resistance-associated protein (MRP).
Cơ Chế Tác Dụng : The pipecolinate derivative biricodar (VX-710) is a clinically applicable modulator of P-glycoprotein (Pgp) and multidrug resistance protein (MRP-1). Vertex’s research shows that biricodar dicitrate can enhance the accumulation of chemotherapy agents in tumor cells by blocking the drug pumps P-gp and MRP, and that it is capable of restoring the sensitivity of tumors to treatment with chemotherapeutic agents.
Chỉ Định : Administered intravenously, biricodar dicitrate is to be used in combination with cancer chemotherapy agents.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Incel
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04851
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=9963148
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14938941
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D03128
ChemSpider
http://www.chemspider.com/Chemical-Structure.8138745.html
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