Eleutherobin

CAT: 0013-GTR19220952-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19220952-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

Eleutherobin is a marine-derived small molecule that potently inhibits β-microtubule polymerization (IC50 = 2 μM), demonstrating cytotoxicity comparable to paclitaxel in vitro. Its mechanism supports research in oncology, particularly in studying tubulin-targeting agents for anticancer drug discovery.

CAS Number

174545-76-7

Smiles

[H][C@@]12C[C@H] (OC (=O) \C=C\c3cn (C) cn3) [C@@]3 (C) O[C@] (OC) (C=C3) \C (CO[C@@H]3OC[C@@H] (O) [C@@H] (O) [C@@H]3OC (C) =O) =C/[C@]1 ([H]) C (CC=C2C) C (C) C

Molecular Formula

C35H48N2O10

Molecular Weight

656.76

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Eleutherobin

Eleutherobin has been reported in Erythropodium caribaeorum and Eleutherobia with data available.

CAS Number	174545-76-7
PubChem CID	6918335
IUPAC Name	[(1S,2S,4R,8R,9S,10Z,12R)-11-[[(2R,3S,4R,5R)-3-acetyloxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-12-methoxy-1,5-dimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] (E)-3-(1-methylimidazol-4-yl)prop-2-enoate
Molecular Formula	C35H48N2O10
Molecular Weight	656.8
XLogP	1.7
Topological Polar Surface Area	148
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	11
Heavy Atom Count	47
Formal Charge	0
Complexity	1280

SMILES

CC1=CC[C@@H]([C@@H]/2[C@H]1C[C@@H]([C@@]3(C=C[C@@](O3)(/C(=C2)/CO[C@H]4[C@H]([C@@H]([C@@H](CO4)O)O)OC(=O)C)OC)C)OC(=O)/C=C/C5=CN(C=N5)C)C(C)C

InChI

InChI=1S/C35H48N2O10/c1-20(2)25-10-8-21(3)26-15-29(46-30(40)11-9-24-16-37(6)19-36-24)34(5)12-13-35(42-7,47-34)23(14-27(25)26)17-43-33-32(45-22(4)38)31(41)28(39)18-44-33/h8-9,11-14,16,19-20,25-29,31-33,39,41H,10,15,17-18H2,1-7H3/b11-9+,23-14-/t25-,26+,27-,28-,29+,31-,32+,33-,34+,35-/m1/s1

InChIKey

XOPYFXBZMVTEJF-PDACKIITSA-N

Chemical Structure

2D Structure

CAS: 174545-76-7

CID: 6918335

Formula: C35H48N2O10

MW: 656.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	656.8
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	11
Exact Mass	656.33089573
Monoisotopic Mass	656.33089573
Topological Polar Surface Area	148 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1280
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GTR19210310-01	Eleutherin, (-) -
GTR19182945	Eleutherin
GTR19260284-01	Eleutherin

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T74761-01	Eleutherobin

Eleutherobin

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