XL388-C2-amide-PEG9-NH2 hydrochloride

For research use only. Not for therapeutic Use.

  • CAT Number: I044449
  • Molecular Formula: C43H63ClFN5O13S
  • Molecular Weight: 944.50
  • Purity: ≥95%
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XL388-C2-amide-PEG9-NH2 hydrochloride(Cat No.:I044449)is a functionalized derivative of XL388, a potent and selective dual inhibitor of mTORC1 and mTORC2 complexes within the PI3K/AKT/mTOR signaling pathway. This modified analog features a PEG9 linker and terminal amine group, enabling conjugation for targeted drug delivery or PROTAC design. The hydrochloride salt form enhances solubility and stability. By inhibiting mTOR, it suppresses cell growth, proliferation, and survival—particularly in cancer models with hyperactive mTOR signaling. XL388-C2-amide-PEG9-NH2 is a versatile research tool in oncology, nanomedicine, and targeted therapeutic development.


Synonyms

3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[4-[7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-2-fluoro-3-methylphenyl]sulfonylethyl]propanamide;hydrochloride

Molecular Formula C43H63ClFN5O13S
Purity ≥95%
IUPAC Name 3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[4-[7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-2-fluoro-3-methylphenyl]sulfonylethyl]propanamide;hydrochloride
InChI InChI=1S/C43H62FN5O13S.ClH/c1-33-37(43(51)49-11-14-62-38-5-2-34(30-36(38)32-49)35-3-7-40(46)48-31-35)4-6-39(42(33)44)63(52,53)29-10-47-41(50)8-12-54-15-17-56-19-21-58-23-25-60-27-28-61-26-24-59-22-20-57-18-16-55-13-9-45;/h2-7,30-31H,8-29,32,45H2,1H3,(H2,46,48)(H,47,50);1H
InChIKey WSADRLSBVSNXHO-UHFFFAOYSA-N
SMILES CC1=C(C=CC(=C1F)S(=O)(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CN=C(C=C4)N.Cl
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