CAS 76260-78-1

substance P methyl ester

Description:

Substance P methyl ester, identified by the CAS number 76260-78-1, is a synthetic derivative of substance P, a neuropeptide involved in pain perception and inflammatory processes. This compound is characterized by its structure, which includes a methyl ester functional group that enhances its lipophilicity, potentially influencing its biological activity and pharmacokinetics. Substance P methyl ester is typically used in research to study neurogenic inflammation and pain pathways, as well as to explore its interactions with neurokinin receptors. The compound is soluble in organic solvents, which facilitates its use in various experimental settings. Its biological activity is primarily attributed to its ability to bind to neurokinin-1 (NK1) receptors, leading to the modulation of pain and inflammatory responses. As with many peptides and their derivatives, stability and degradation can be a concern, necessitating careful handling and storage conditions. Overall, substance P methyl ester serves as a valuable tool in neurobiology and pharmacology for understanding the roles of neuropeptides in physiological and pathological processes.

Formula: C₆₃H₉₇N₁₇O₁₄S

InChI: InChI=1/C63H97N17O14S/c1-37(2)33-45(56(87)76-44(27-32-95-4)62(93)94-3)72-52(83)36-71-53(84)46(34-38-15-7-5-8-16-38)77-57(88)47(35-39-17-9-6-10-18-39)78-55(86)41(22-24-50(66)81)73-54(85)42(23-25-51(67)82)74-58(89)49-21-14-31-80(49)61(92)43(19-11-12-28-64)75-59(90)48-20-13-30-79(48)60(91)40(65)26-29-70-63(68)69/h5-10,15-18,37,40-49H,11-14,19-36,64-65H2,1-4H3,(H2,66,81)(H2,67,82)(H,71,84)(H,72,83)(H,73,85)(H,74,89)(H,75,90)(H,76,87)(H,77,88)(H,78,86)(H4,68,69,70)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1

SMILES: CC(C)C[C@@H](C(=N[C@@H](CCSC)C(=O)OC)O)N=C(CN=C([C@H](Cc1ccccc1)N=C([C@H](Cc1ccccc1)N=C([C@H](CCC(=N)O)N=C([C@H](CCC(=N)O)N=C([C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C([C@@H]1CCCN1C(=O)[C@H](CCNC(=N)N)N)O)O)O)O)O)O)O

Synonyms:

• H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-OMe
• methyl 1-{(2S)-2-amino-4-[(diaminomethylidene)amino]butanoyl}-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-methioninate
• Substance P-methyl ester