Tìm theo
VNP 40101M
Thuốc Gốc
Small Molecule
CTHH: C6H14ClN3O5S2
PTK: 307.775
VNP40101M is a novel alkylating agent that is being evaluated for the treatment of acute myelogenous leukemia (AML. It is undergoing phase III development for the treatment of acute myeloid leukemia (AML) and earlier clinical trials for a range of other cancers.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H14ClN3O5S2
Phân tử khối
307.775
Monoisotopic mass
307.00633966
InChI
InChI=1S/C6H14ClN3O5S2/c1-8-6(11)10(17(3,14)15)9(5-4-7)16(2,12)13/h4-5H2,1-3H3,(H,8,11)
InChI Key
InChIKey=PVCULFYROUOVGJ-UHFFFAOYSA-N
IUPAC Name
1-[N-(2-chloroethyl)methanesulfonamido]-1-methanesulfonyl-3-methylurea
Traditional IUPAC Name
1-[N-(2-chloroethyl)methanesulfonamido]-1-methanesulfonyl-3-methylurea
SMILES
CNC(=O)N(N(CCCl)S(C)(=O)=O)S(C)(=O)=O
Độ hòa tan
7.36e-01 g/l
logP
-1.9
logS
-2.6
pKa (strongest acidic)
12.87
PSA
103.86 Å2
Refractivity
61.91 m3·mol-1
Polarizability
26.65 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
0
Bioavailability
1
Rule of Five
true
Cơ Chế Tác Dụng : VNP40101M is a novel alkylating agent that is being evaluated for the treatment of acute myelogenous leukemia (AML. It is undergoing phase III development for the treatment of acute myeloid leukemia (AML) and earlier clinical trials for a range of other cancers. VNP40101M is a small molecule that works by damaging DNA. It releases the DNA chloroethylating agent 90CE after entering the blood stream. 90CE chloroethylates the O6 position of guanine residues, ultimately resulting in an interstrand DNA cross-link. Interstrand DNA cross-links are difficult to repair and are toxic to cells. VNP40101M demonstrates a broad spectrum of anticancer activity in preclinical studies, including activity in selected cell lines resistant to other alkylating agents such as BCNU, cyclophosphamide and melphalan. In preclinical studies, Cloretazine (VNP40101M) has been combined with other anticancer agents such as cytarabine (Ara-C). In addition, Cloretazine (VNP40101M) or its metabolite, has been shown to be capable of crossing the blood brain barrier in preclinical models.
Chỉ Định : Investigated for use/treatment in brain cancer, cancer/tumors (unspecified), colorectal cancer, leukemia (lymphoid), leukemia (myeloid), lung cancer, myelodysplastic syndrome, pediatric indications, and solid tumors.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Cloretazine
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05817
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3081349
ChemSpider
http://www.chemspider.com/Chemical-Structure.2338969.html
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