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CAS 146464-93-9

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4-[1-(2,4-Diamino-6-pteridinyl)-4-pentyn-2-yl]benzoic acid

Description:
4-[1-(2,4-Diamino-6-pteridinyl)-4-pentyn-2-yl]benzoic acid, with CAS number 146464-93-9, is a chemical compound that features a complex structure characterized by a benzoic acid moiety linked to a pteridinyl group. This compound is notable for its potential biological activity, particularly in the context of medicinal chemistry, where it may exhibit properties relevant to the development of pharmaceuticals. The presence of the pteridinyl ring suggests that it may interact with biological targets such as enzymes or receptors, potentially influencing metabolic pathways. The amino groups in the structure can participate in hydrogen bonding, enhancing solubility and reactivity. Additionally, the alkyne functional group (4-pentyn-2-yl) may provide sites for further chemical modification or conjugation, making it a versatile scaffold in drug design. Overall, this compound's unique structural features contribute to its potential applications in therapeutic contexts, although specific biological activities would require further investigation through experimental studies.
Formula:C18H16N6O2
InChI:InChI=1S/C18H16N6O2/c1-2-3-12(10-4-6-11(7-5-10)17(25)26)8-13-9-21-16-14(22-13)15(19)23-18(20)24-16/h1,4-7,9,12H,3,8H2,(H,25,26)(H4,19,20,21,23,24)
SMILES:C#CCC(Cc1cnc2c(c(N)[nH]c(=N)n2)n1)c1ccc(cc1)C(=O)O
Synonyms:
  • 10-Propargyl-4-deoxy-4-amino-10-deazapteroic acid
  • Benzoic acid, 4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]-
  • 4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]Benzoic acid
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