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399550-08-4 | 6-(2-Aminoethyl)amino-5-chlorouracil
CAS No: 399550-08-4 Catalog No: AG003MZ8 MDL No:
Product Description
Catalog Number:
AG003MZ8
Chemical Name:
6-(2-Aminoethyl)amino-5-chlorouracil
CAS Number:
399550-08-4
Molecular Formula:
C6H9ClN4O2
Molecular Weight:
204.6143
IUPAC Name:
6-(2-aminoethylamino)-5-chloro-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C6H9ClN4O2/c7-3-4(9-2-1-8)10-6(13)11-5(3)12/h1-2,8H2,(H3,9,10,11,12,13)
InChI Key:
UBIZYYDQUSJYIT-UHFFFAOYSA-N
SMILES:
NCCNc1[nH]c(=O)[nH]c(=O)c1Cl
NSC Number:
722590
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
204.614g/mol
Monoisotopic Mass:
204.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Transition of tumor-associated macrophages from MHC class II(hi) to MHC class II(low) mediates tumor progression in mice. | BMC immunology 20110101 |
| Antiangiogenic and antitumor activity of 6-(2-aminoethyl)amino-5-chlorouracil, a novel small-molecule inhibitor of thymidine phosphorylase, in combination with the vascular endothelial growth factor-trap. | Clinical cancer research : an official journal of the American Association for Cancer Research 20090815 |
| Novel 6-substituted uracil analogs as inhibitors of the angiogenic actions of thymidine phosphorylase. | Biochemical pharmacology 20011101 |
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