Tìm theo
motexafin lutetium
Thuốc Gốc
Small Molecule
CTHH: C52H75LuN5O14
PTK: 1169.144
Motexafin lutetium (MLu) is a second-generation photosensitizer for photodynamic therapy (PDT) of cancer. It belongs to the family of drugs called metallotexaphyrins. Also called lutetium texaphyrin. Motexafin lutetium is a pentadentate aromatic metallotexaphyrin with photosensitizing properties.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C52H75LuN5O14
Phân tử khối
1169.144
Monoisotopic mass
1168.471820037
InChI
InChI=1S/C48H67N5O10.2C2H4O2.Lu/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;/h27-32,52,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+;;;
InChI Key
InChIKey=ISYPMTHOLIXZHJ-WRIGXHCHSA-N
IUPAC Name
3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis({2-[2-(2-methoxyethoxy)ethoxy]ethoxy})-10,23-dimethyl-13,20,25,26,27-pentaazapentacyclo[20.2.1.1^{3,6}.1^{8,11}.0^{14,19}]heptacosa-1,3(27),4,6,8,10,12,14,16,18,20,22(25),23-tridecaen-9-yl]propan-1-ol bis(acetic acid) lutetium
Traditional IUPAC Name
3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis({2-[2-(2-methoxyethoxy)ethoxy]ethoxy})-10,23-dimethyl-13,20,25,26,27-pentaazapentacyclo[20.2.1.1^{3,6}.1^{8,11}.0^{14,19}]heptacosa-1,3(27),4,6,8,10,12,14,16,18,20,22(25),23-tridecaen-9-yl]propan-1-ol bis(acetic acid) lutetium
SMILES
[Lu].CC(O)=O.CC(O)=O.CCC1=C(CC)C2=N\C\1=C/C1=N/C(=C\N=C3/C=C(OCCOCCOCCOC)C(OCCOCCOCCOC)=C/C/3=N\C=C3/N/C(=C\2)C(CCCO)=C3C)/C(C)=C1CCCO
logP
6.76
pKa (strongest acidic)
15.51
pKa (Strongest Basic)
4.47
PSA
181.65 Å2
Refractivity
242.47 m3·mol-1
Polarizability
104.11 Å3
Rotatable Bond Count
28
H Bond Acceptor Count
14
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
5
Bioavailability
0
MDDR-Like Rule
true
Cơ Chế Tác Dụng : Motexafin lutetium (MLu) is a second-generation photosensitizer for photodynamic therapy (PDT) of cancer. It belongs to the family of drugs called metallotexaphyrins. Also called lutetium texaphyrin. Motexafin lutetium is a pentadentate aromatic metallotexaphyrin with photosensitizing properties. Motexafin lutetium has the potential to combine the features of selective localization, ability to be activated by deeply penetrating far-red light, low incidence of skin photosensitization and water solubility. The product is in clinical development as a treatment for several types of solid tumors (as Lutrin), age-related macular degeneration (as Optrin), atherosclerosis and prevention of restenosis (as Antrin). Motexafin lutetium preferentially accumulates in tumor cells due to their increased rates of metabolism and absorbs light, forming an extended high energy conformational state that produces high quantum yields of singlet oxygen, resulting in local cytotoxic effects.
Chỉ Định : Investigated for use/treatment in brain cancer, breast cancer, cervical dysplasia/cancer, prostate cancer, cancer/tumors (unspecified), coronary artery disease, macular degeneration, and peripheral vascular disease.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Antrin
  • Công ty :
    Sản phẩm biệt dược : Lutrin
  • Công ty :
    Sản phẩm biệt dược : Optrin
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05296
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=151072
ChemSpider
http://www.chemspider.com/Chemical-Structure.133157.html
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