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Filanesib hydrochloride

CAT: 0957-S7354-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S7354-25mgSize:25 mg
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CAS Number
1385020-40-5
Synonyms
ARRY-520 hydrochloride
Target
Kinesin
Applications
Cytoskeletal Signaling
Molecular Formula
C20H22F2N4O2S.ClH
Additionnal Information
Filanesib (ARRY-520) hydrochloride is a kinesin spindle protein (KSP) inhibitor that blocks the separation of centrosomes and assembly of spindles in the early stage of cell mitosis, and cell proliferation.

Chemical Information

Filanesib Hydrochloride

See also: Filanesib (has active moiety).

CAS Number1385020-40-5
PubChem CID72942033
IUPAC Name(2S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide;hydrochloride
Molecular FormulaC20H23ClF2N4O2S
Molecular Weight456.9
Topological Polar Surface Area96.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity605
SMILES
CN(C(=O)N1[C@](SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC.Cl
InChI
InChI=1S/C20H22F2N4O2S.ClH/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22;/h3-5,7-10,13H,6,11-12,23H2,1-2H3;1H/t20-;/m0./s1
InChIKey
CTAIFVHCDONNPS-BDQAORGHSA-N
Chemical Structure
2D Structure
2D structure of Filanesib Hydrochloride
CAS: 1385020-40-5
CID: 72942033
Formula: C20H23ClF2N4O2S
MW: 456.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass456.1198312
Monoisotopic Mass456.1198312
Topological Polar Surface Area96.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
C12627-01Filanesib hydrochloride
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C04245Filanesib
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HY-15187BFilanesib (TFA)
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