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Sagopilone

CAT: 0013-GTR19210533-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210533-01Size:25 mg
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Description
Sagopilone is a synthetic epothilone that stabilizes microtubules, inhibiting cell division and inducing apoptosis. It evades P-glycoprotein efflux, showing potential against multidrug-resistant cancers in preclinical in vitro and in vivo models for oncology research.
CAS Number
305841-29-6
Field of Research
Signal Transduction
Smiles
C[C@@]12[C@@] (O1) (C[C@H] (OC (=O) C[C@H] (O) C (C) (C) C (=O) [C@H] (CC=C) [C@@H] (O) [C@@H] (C) CCC2) C=3C=C4C (=CC3) SC (C) =N4) [H]
Molecular Formula
C30H41NO6S
Molecular Weight
543.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sagopilone

Sagopilone is a macrolide.

CAS Number305841-29-6
PubChem CID11284169
IUPAC Name(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Molecular FormulaC30H41NO6S
Molecular Weight543.7
XLogP4.9
Topological Polar Surface Area137
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count38
Formal Charge0
Complexity881
SMILES
C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)CC=C)(C)C)O)C3=CC4=C(C=C3)SC(=N4)C)C
InChI
InChI=1S/C30H41NO6S/c1-7-9-20-27(34)17(2)10-8-13-30(6)25(37-30)15-22(19-11-12-23-21(14-19)31-18(3)38-23)36-26(33)16-24(32)29(4,5)28(20)35/h7,11-12,14,17,20,22,24-25,27,32,34H,1,8-10,13,15-16H2,2-6H3/t17-,20+,22-,24-,25-,27-,30+/m0/s1
InChIKey
BFZKMNSQCNVFGM-UCEYFQQTSA-N
Chemical Structure
2D Structure
2D structure of Sagopilone
CAS: 305841-29-6
CID: 11284169
Formula: C30H41NO6S
MW: 543.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight543.7
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass543.26545920
Monoisotopic Mass543.26545920
Topological Polar Surface Area137 Ų
Heavy Atom Count38
Formal Charge0
Complexity881
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3840304-01Sagopilone
A14328-10Sagopilone 10mg
A14328-25Sagopilone 25mg
A14328-100Sagopilone 100mg
A14328-50Sagopilone 50mg
A14328-5Sagopilone 5mg

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