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MW 807.9 Da, Purity >99%. Potent cytotoxic agent in vitro (IC50 = 2 nM). Disrupts microtubule assembly and arrests cell divison at G2/M phase. Induces apoptosis. Antitumor agent. Active in vivo and in vitro.

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Images

Chemical Structure - Docetaxel, Cytotoxic agent (AB141248), expandable thumbnail

Publications

Key facts

CAS number
114977-28-5
Purity
> 99%
Form
Solid
Molecular weight
807.9 Da
Molecular formula
C43H53NO14
PubChem identifier
148124
Nature
Synthetic

Alternative names

Recommended products

MW 807.9 Da, Purity >99%. Potent cytotoxic agent in vitro (IC50 = 2 nM). Disrupts microtubule assembly and arrests cell divison at G2/M phase. Induces apoptosis. Antitumor agent. Active in vivo and in vitro.

Key facts

Purity
> 99%
PubChem identifier
148124
Solubility

Soluble in DMSO to 100 mM.

Soluble in ethanol to 100 mM.

Biochemical name
Docetaxel
Biological description

Potent cytotoxic agent in vitro (IC50 = 2 nM). Disrupts microtubule assembly and arrests cell divison at G2/M phase. Induces apoptosis. Antitumor agent. Active in vivo and in vitro.

Canonical SMILES
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
Isomeric 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)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
InChI
InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
InChIKey
ZDZOTLJHXYCWBA-VCVYQWHSSA-N
IUPAC name
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Storage

Shipped at conditions
Ambient - Can Ship with Ice
Appropriate short-term storage conditions
+4°C
Appropriate long-term storage conditions
+4°C
Storage information
Store under desiccating conditions, The product can be stored for up to 12 months

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1 product image

  • Chemical Structure - Docetaxel, Cytotoxic agent (ab141248), expandable thumbnail

    Chemical Structure - Docetaxel, Cytotoxic agent (ab141248)

    2D chemical structure image of ab141248, Docetaxel, Cytotoxic agent

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