LYN55979

Name: LYN55979
CAS#: 960155-97-9
Chemical Formula: C51H60N2O19
Exact Mass: 1004.379
Molecular Weight: 1005.036
Elemental Analysis: C, 60.95; H, 6.02; N, 2.79; O, 30.25

Description: LYN55979, also known as docetaxel-succinic-NHS ester, is a docetaxel derivative with an NHS ester bridged by a succinic linker. The NHS ester group of this molecule can effectively react with amino- or hydroxy- group to form conjugate product. LYN55979 is a useful agent to make docetaxel bio-conjugates. 

IUPAC/Chemical Name: (2R,3S)-1-(((2aR,4S,4aS,6R,9S,11S,12S,12bS)-12b-acetoxy-12-(benzoyloxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-9-yl)oxy)-3-((tert-butoxycarbonyl)amino)-1-oxo-3-phenylpropan-2-yl (2,5-dioxopyrrolidin-1-yl) succinate

InChi Key: LYWUYJJDPBHOHB-YLJZXOCYSA-N

InChi Code: InChI=1S/C51H60N2O19/c1-26-30(67-45(63)40(38(28-15-11-9-12-16-28)52-46(64)71-47(3,4)5)68-35(58)21-22-36(59)72-53-33(56)19-20-34(53)57)24-51(65)43(69-44(62)29-17-13-10-14-18-29)41-49(8,42(61)39(60)37(26)48(51,6)7)31(55)23-32-50(41,25-66-32)70-27(2)54/h9-18,30-32,38-41,43,55,60,65H,19-25H2,1-8H3,(H,52,64)/t30-,31-,32+,38-,39+,40+,41?,43-,49+,50-,51+/m0/s1

SMILES Code: O=C(O[C@@H](C1[C@@]2(C)[C@@H](O)C[C@@]3([H])OC[C@]31OC(C)=O)[C@]4(O)C[C@H](OC([C@H](OC(CCC(ON5C(CCC5=O)=O)=O)=O)[C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)=O)C(C)=C(C4(C)C)[C@@H](O)C2=O)C7=CC=CC=C7

Appearance: Solid powder