CAS 112163-39-0

dimethyl 2-[[4-[(2,4-diamino-7-cyano-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate

Description:

Dimethyl 2-[[4-[(2,4-diamino-7-cyano-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate, identified by its CAS number 112163-39-0, is a complex organic compound characterized by its multi-functional structure. It features a pteridine moiety, which is known for its biological significance, particularly in the context of nucleic acid metabolism and enzyme function. The presence of amino groups suggests potential for hydrogen bonding and reactivity, while the dimethyl ester groups indicate that it can undergo hydrolysis to yield corresponding acids. This compound may exhibit properties such as solubility in polar solvents due to its polar functional groups, and it may also possess biological activity, potentially acting as a pharmaceutical agent or a biochemical probe. Its intricate structure implies that it could interact with various biological targets, making it of interest in medicinal chemistry and drug development. However, specific characteristics such as melting point, boiling point, and spectral data would require empirical determination or literature reference for precise information.

Formula: C₂₃H₂₅N₉O₅

InChI: InChI=1/C23H25N9O5/c1-32(11-16-15(10-24)28-20-18(27-16)19(25)30-23(26)31-20)13-6-4-12(5-7-13)21(34)29-14(22(35)37-3)8-9-17(33)36-2/h4-7,14H,8-9,11H2,1-3H3,(H,29,34)(H4,25,26,28,30,31)

InChI key: InChIKey=IELAPFQSSXNBBQ-AWEZNQCLSA-N

SMILES: NC=1C2=C(N=C(C#N)C(CN(C)C3=CC=C(C(N[C@@H](CCC(OC)=O)C(OC)=O)=O)C=C3)=N2)N=C(N)N1

Synonyms:

• L-Glutamic acid, N-[4-[[(2,4-diamino-7-cyano-6-pteridinyl)methyl]methylamino]benzoyl]-, dimethyl ester
• (S)-Dimethyl 2-(4-(((4-amino-7-cyano-2-imino-2,3-dihydropteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioate
• N-[4-[[(2,4-DiaMino-7-cyano-6-pteridinyl)Methyl]MethylaMino]benzoyl]-L-glutaMic Acid DiMethyl Ester
• 7-CYANOMETHOTREXATE DIMETHYL ESTER

7-Cyanomethotrexate Dimethyl Ester

Controlled Product

CAS: 112163-39-0

Formula: C₂₃H₂₅N₉O₅

Color and Shape: Neat

Molecular weight: 507.50

Ref: TR-C981820