Products for Research Use Only
RegisterLogin

Paclitaxel octadecanedioate

CAT: 0931-T36398-01Size: 500 µgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T36398-01Size:500 µg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2089211-45-8
Target
Others
Related Pathways
Others
Bioactivity
Paclitaxel octadecanedioate is a prodrug form of paclitaxel that is comprised of paclitaxel conjugated to 1,18-octadecanedioic acid.1 Unlike paclitaxel, it does not promote tubulin polymerization in vitro when used at a concentration of 10 μM. A 5:1 mixture of paclitaxel octadecanedioate:human serum albumin (HSA) is cytotoxic to HT-1080, PANC-1, and HT-29 cells (IC50s = 12, 2.48, and 8.62 nM, respectively) . This mixture reduces tumor growth and increases survival in an HT-1080 mouse xenograft model in a dose-dependent manner.
Smiles
[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](OC(=O)CCCCCCCCCCCCCCCCC(O)=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:14|
Molecular Formula
C65H83NO17
Molecular Weight
1150.369
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Paclitaxel octadecanedioate
CAS Number2089211-45-8
PubChem CID126709466
IUPAC Name18-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-18-oxooctadecanoic acid
Molecular FormulaC65H83NO17
Molecular Weight1150.3
XLogP9.7
Topological Polar Surface Area265
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count33
Heavy Atom Count83
Formal Charge0
Complexity2300
SMILES
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCCCCCCCCCCCCCCCC(=O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
InChI
InChI=1S/C65H83NO17/c1-41-47(39-65(77)58(82-60(75)46-34-26-21-27-35-46)56-63(6,48(69)38-49-64(56,40-78-49)83-43(3)68)57(73)54(79-42(2)67)52(41)62(65,4)5)80-61(76)55(53(44-30-22-19-23-31-44)66-59(74)45-32-24-20-25-33-45)81-51(72)37-29-18-16-14-12-10-8-7-9-11-13-15-17-28-36-50(70)71/h19-27,30-35,47-49,53-56,58,69,77H,7-18,28-29,36-40H2,1-6H3,(H,66,74)(H,70,71)/t47-,48-,49+,53-,54+,55+,56-,58-,63+,64-,65+/m0/s1
InChIKey
NQJFZDIRENPICR-SNNBKDRYSA-N
Chemical Structure
2D Structure
2D structure of Paclitaxel octadecanedioate
CAS: 2089211-45-8
CID: 126709466
Formula: C65H83NO17
MW: 1150.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1150.3
XLogP39.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count33
Exact Mass1149.56610018
Monoisotopic Mass1149.56610018
Topological Polar Surface Area265 Ų
Heavy Atom Count83
Formal Charge0
Complexity2300
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T0968-01Paclitaxel
T203534-01Cy7-Paclitaxel
T33861-01Paclitaxel-MVCP
T70114-01Paclitaxel Ceribate
T70006-01DHA-paclitaxel
TMID-0018-01Paclitaxel-d5
T203411-01Cy5-Paclitaxel
T28289-01Paclitaxel-SMCC
T20265Paclitaxel Poliglumex
T36896-016α-hydroxy Paclitaxel

Alternative Products

CatalogName
MBS5797551Paclitaxel octadecanedioate
HY-W098047-01Dimethyl octadecanedioate
abx185891-01(-)-Paclitaxel;Paclitaxel
OR1068501-01Di-tert-butyl octadecanedioate
BUP20834-01Paclitaxel

Popular Products