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CAS 83996-50-3

:

L-Methionine, 4-fluoro-L-phenylalanyl-3-[bis(2-chloroethyl)amino]-L-phenylalanyl-, ethyl ester, hydrochloride (1:1)

Description:
L-Methionine, 4-fluoro-L-phenylalanyl-3-[bis(2-chloroethyl)amino]-L-phenylalanyl-, ethyl ester, hydrochloride (1:1), with CAS number 83996-50-3, is a synthetic compound that combines elements of amino acids and alkylating agents. This compound features a methionine backbone, which is an essential amino acid known for its role in protein synthesis and as a precursor to various biomolecules. The presence of a 4-fluoro substitution on the phenylalanine moiety may impart unique electronic properties, potentially affecting its biological activity. The bis(2-chloroethyl)amino group suggests that this compound may exhibit cytotoxic properties, as similar structures are often associated with alkylating agents used in chemotherapy. The ethyl ester form indicates that it may be more lipophilic, potentially enhancing its absorption and bioavailability. As a hydrochloride salt, it is likely to be more soluble in water, facilitating its use in biological systems. Overall, this compound's characteristics suggest potential applications in medicinal chemistry, particularly in the development of targeted therapies.
Formula:C29H39Cl2FN4O4S·ClH
InChI:InChI=1S/C29H39Cl2FN4O4S.ClH/c1-3-40-29(39)25(11-16-41-2)34-28(38)26(35-27(37)24(33)18-20-7-9-22(32)10-8-20)19-21-5-4-6-23(17-21)36(14-12-30)15-13-31;/h4-10,17,24-26H,3,11-16,18-19,33H2,1-2H3,(H,34,38)(H,35,37);1H/t24-,25-,26-;/m0./s1
InChI key:InChIKey=LPRJQYQONDUPFK-OUKLVGRUSA-N
SMILES:N(CCCl)(CCCl)C1=CC(C[C@@H](C(N[C@H](C(OCC)=O)CCSC)=O)NC([C@H](CC2=CC=C(F)C=C2)N)=O)=CC=C1.Cl
Synonyms:
  • L-Methionine, N-[3-[bis(2-chloroethyl)amino]-N-(4-fluoro-L-phenylalanyl)-L-phenylalanyl]-, ethyl ester, monohydrochloride
  • L-Methionine, 4-fluoro-L-phenylalanyl-3-[bis(2-chloroethyl)amino]-L-phenylalanyl-, ethyl ester, hydrochloride (1:1)
  • L-Methionine, 4-fluoro-L-phenylalanyl-3-[bis(2-chloroethyl)amino]-L-phenylalanyl-, ethyl ester, monohydrochloride
  • PTT 119
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