Tìm theo
TLK-199
Thuốc Gốc
Small Molecule
CTHH: C27H35N3O6S
PTK: 529.648
TLK-199 is investigated in clinical trials for treating myelodysplastic syndrome. TLK-199 is a solid. This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. This medication is known to target Glutathione S-transferase P. TLK-199 is a small molecule drug that is an analog inhibitor of glutathione S-transferase P1-1. It acts intracellularly on the MAPK signaling pathway by activating ERK2. TLK-199 has myelostimulant activity in preclinical rodent models and human bone marrow cultures, and differentiates granulocytes and monocytes in HL60 cells. TLK-199 is a candidate designed to stimulate the formation of bone marrow cells that are precursors to granulocytes and monocytes (white blood cells), erythrocytes (red blood cells) and platelets. Many conditions are characterized by depleted bone marrow, including myelodysplastic syndrome (MDS), a form of pre-leukemia in which the bone marrow produces insufficient levels of one or more of the 3 major blood elements (white blood cells, red blood cells and platelets). It might also be relevant as an adjunct therapy since a reduction in blood cell levels is also a common, toxic effect of many standard chemotherapeutic drugs.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C27H35N3O6S
Phân tử khối
529.648
Monoisotopic mass
529.224656557
InChI
InChI=1S/C27H35N3O6S/c1-3-35-26(33)21(28)15-16-23(31)29-22(18-37-17-19-11-7-5-8-12-19)25(32)30-24(27(34)36-4-2)20-13-9-6-10-14-20/h5-14,21-22,24H,3-4,15-18,28H2,1-2H3,(H,29,31)(H,30,32)/t21-,22-,24+/m0/s1
InChI Key
InChIKey=GWEJFLVSOGNLSS-WPFOTENUSA-N
IUPAC Name
ethyl (2S)-2-amino-4-{[(1R)-2-(benzylsulfanyl)-1-{[(1R)-2-ethoxy-2-oxo-1-phenylethyl]carbamoyl}ethyl]carbamoyl}butanoate
Traditional IUPAC Name
ethyl (2S)-2-amino-4-{[(1R)-2-(benzylsulfanyl)-1-{[(1R)-2-ethoxy-2-oxo-1-phenylethyl]carbamoyl}ethyl]carbamoyl}butanoate
SMILES
CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)N[C@@H](C(=O)OCC)C1=CC=CC=C1
Độ hòa tan
2.45e-03 g/l
logP
2.42
logS
-5.3
pKa (strongest acidic)
11.8
pKa (Strongest Basic)
7.18
PSA
136.82 Å2
Refractivity
141.82 m3·mol-1
Polarizability
57.5 Å3
Rotatable Bond Count
17
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
2
Bioavailability
0
Chỉ Định : Investigated for use/treatment in myelodysplastic syndrome.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Telintra
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05460
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5310939
ChemSpider
http://www.chemspider.com/Chemical-Structure.4470493.html
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