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Home Aminos 4-[N-(2,4-Diamino-6-pteridinylmethyl)-n-methylamino]benzoic acid

4-[N-(2,4-Diamino-6-pteridinylmethyl)-n-methylamino]benzoic acid

CAS No.:
19741-14-1
Catalog Number:
AG0073DD
Molecular Formula:
C15H15N7O2
Molecular Weight:
325.3253
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
97%(HPLC)
In Stock USA
United States
$155
- +
25mg
97%(HPLC)
In Stock USA
United States
$433
- +
100mg
97%(HPLC)
In Stock USA
United States
$1261
- +
Product Description
Catalog Number:
AG0073DD
Chemical Name:
4-[N-(2,4-Diamino-6-pteridinylmethyl)-n-methylamino]benzoic acid
CAS Number:
19741-14-1
Molecular Formula:
C15H15N7O2
Molecular Weight:
325.3253
MDL Number:
MFCD00075774
IUPAC Name:
4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acid
InChI:
InChI=1S/C15H15N7O2/c1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13/h2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21)
InChI Key:
LWCXZSDKANNOAR-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c2c(n1)ncc(n2)CN(c1ccc(cc1)C(=O)O)C
UNII:
P7OVP484DX
NSC Number:
131463
Properties
Complexity:
444  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.129g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
325.332g/mol
Monoisotopic Mass:
325.129g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Literature
Title Journal
Simple and sensitive HPLC method for the fluorometric determination of methotrexate and its major metabolites in human plasma by post-column photochemical reaction. Biomedical chromatography : BMC 20120101
The influence of 7-OH methotrexate metabolite on clinical relevance of methotrexate determination. Clinical laboratory 20110101
Commentary. Clinical chemistry 20101201
Commentary. Clinical chemistry 20101201
Determination of the chiral and achiral related substances of methotrexate by cyclodextrin-modified micellar electrokinetic chromatography. Electrophoresis 20040801
Identification of highly potent and selective inhibitors of Toxoplasma gondii dihydrofolate reductase. Antimicrobial agents and chemotherapy 19930901
Pneumocystis carinii dihydrofolate reductase used to screen potential antipneumocystis drugs. Antimicrobial agents and chemotherapy 19910701
Inhibition of Pneumocystis dihydrofolate reductase by analogs of pyrimethamine, methotrexate and trimetrexate. The Journal of protozoology 19910101
Properties