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Spastazoline

CAT: 0931-T8513-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T8513-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2351882-11-4
Target
Others, Microtubule Associated
Related Pathways
Cytoskeletal Signaling, Others
Purity
>99.99%
Bioactivity
Spastazoline is a potent and selective inhibitor of spastin (Human spastin with IC50 of 99 nM) .
Smiles
CC(C)[C@@H]1CN(CCN1)c1nc(Nc2cc([nH]n2)C(C)(C)C)c2cc[nH]c2n1
Molecular Formula
C20H30N8
Molecular Weight
382.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Spastazoline
CAS Number2351882-11-4
PubChem CID135397891
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-[(3R)-3-propan-2-ylpiperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Molecular FormulaC20H30N8
Molecular Weight382.5
XLogP4.1
Topological Polar Surface Area97.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity521
SMILES
CC(C)[C@@H]1CN(CCN1)C2=NC3=C(C=CN3)C(=N2)NC4=NNC(=C4)C(C)(C)C
InChI
InChI=1S/C20H30N8/c1-12(2)14-11-28(9-8-21-14)19-24-17-13(6-7-22-17)18(25-19)23-16-10-15(26-27-16)20(3,4)5/h6-7,10,12,14,21H,8-9,11H2,1-5H3,(H3,22,23,24,25,26,27)/t14-/m0/s1
InChIKey
HNOLTAKAPDKZRY-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Spastazoline
CAS: 2351882-11-4
CID: 135397891
Formula: C20H30N8
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP34.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass382.25934299
Monoisotopic Mass382.25934299
Topological Polar Surface Area97.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity521
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
MBS133181spastazoline
A19432-25Spastazoline 25mg
A19432-200Spastazoline 200mg
A19432-50Spastazoline 50mg
A19432-10Spastazoline 10mg
A19432-100Spastazoline 100mg
A19432-5Spastazoline 5mg
A19432-1Spastazoline 1mg
TBI4240-25MGSpastazoline, Spastin inhibitor
A19432-10mM-DSpastazoline 10mM * 1mL in DMSO

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