XMT-1519 conjugate-1 - CAS 2720500-19-4 Catalog number: BADC-01640

Description

XMT-1519 conjugate-1 is a linker for the HER-2 monoclonal antibody XMT-1519. XMT-1519 can be used to synthesize ADC and increase anti-tumor activity.

IUPAC Name

3-[6-carbamoyl-3-[(E)-4-[6-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]benzimidazol-4-yl]oxypropyl (2S)-2-[3-[2-[2-[[(4S)-5-[[2-[[2-[[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(2S)-1,5-dioxo-1,5-bis[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]propanoylamino]propanoate

Canonical SMILES

CCC1=C(OC(=N1)C)C(=O)NC2=NC3=C(N2CC=CCN4C5=C(C=C(C=N5)C(=O)N)N=C4NC(=O)C6=C(N=C(O6)C)CC)C(=CC(=C3)C(=O)N)OCCCOC(=O)C(C)NC(=O)CCOCCOCCNC(=O)CCC(C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC(CCC(=O)NCC(C(C(C(CO)O)O)O)O)C(=O)NCC(C(C(C(CO)O)O)O)O)NC(=O)CN7C(=O)C=CC7=O

InChI

InChI=1S/C101H149N23O42/c1-6-63-90(165-59(4)114-63)97(150)120-100-118-67-45-61(92(102)146)47-73(85(67)122(100)21-8-9-22-123-94-68(46-62(48-110-94)93(103)147)119-101(123)121-98(151)91-64(7-2)115-60(5)166-91)163-23-10-24-164-99(152)58(3)113-76(133)17-25-153-29-31-155-27-19-104-74(131)13-11-66(117-82(139)55-124-83(140)15-16-84(124)141)96(149)112-54-81(138)109-53-80(137)108-52-79(136)107-51-78(135)105-20-28-156-32-34-158-36-38-160-40-42-162-44-43-161-41-39-159-37-35-157-33-30-154-26-18-77(134)116-65(95(148)111-50-70(128)87(143)89(145)72(130)57-126)12-14-75(132)106-49-69(127)86(142)88(144)71(129)56-125/h8-9,15-16,45-48,58,65-66,69-72,86-89,125-130,142-145H,6-7,10-14,17-44,49-57H2,1-5H3,(H2,102,146)(H2,103,147)(H,104,131)(H,105,135)(H,106,132)(H,107,136)(H,108,137)(H,109,138)(H,111,148)(H,112,149)(H,113,133)(H,116,134)(H,117,139)(H,118,120,150)(H,119,121,151)/b9-8+/t58-,65-,66-,69-,70-,71+,72+,86+,87+,88+,89+/m0/s1

InChIKey

PNVXQAAGASVPRX-DXOQEFCWSA-N

Appearance

White to Off-white Solid