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Monastrol

CAT: 0013-GTR19158553-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19158553-04Size:1 g
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Description
Monastrol is a kinesin Eg5 inhibitor. Induction of apoptosis by monastrol is independent of the spindle checkpoint. Monastrol binds to the KSP-ADP complex, forming a KSP-ADP- monastrol ternary complex, which cannot bind to microtubules productively and cannot undergo further ATP-driven conformational changes.
CAS Number
254753-54-3
Product Name Alternative
Monastrol
Purity
>98% (HPLC)
Smiles
CCOC (=O) C1=C (NC (=S) NC1C2=CC (=CC=C2) O) C
Molecular Formula
C14H16N2O3S
Molecular Weight
292.35
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Ethyl 4- (3-hydroxyphenyl) -6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Chemical Information

Monastrol

(S)-monastrol is an ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate that has S configuration. It is an enantiomer of a (R)-monastrol.

CAS Number254753-54-3
PubChem CID794323
IUPAC Nameethyl (4S)-4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Molecular FormulaC14H16N2O3S
Molecular Weight292.36
XLogP1.6
Topological Polar Surface Area103
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity436
SMILES
CCOC(=O)C1=C(NC(=S)N[C@H]1C2=CC(=CC=C2)O)C
InChI
InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)/t12-/m0/s1
InChIKey
LOBCDGHHHHGHFA-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Monastrol
CAS: 254753-54-3
CID: 794323
Formula: C14H16N2O3S
MW: 292.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.36
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass292.08816355
Monoisotopic Mass292.08816355
Topological Polar Surface Area103 Ų
Heavy Atom Count20
Formal Charge0
Complexity436
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-101071A-01Monastrol

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