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ARQ 621 50mg

CAT: 0628-A14234-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A14234-50Size:50 mg
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CAS Number
1095253-39-6

Chemical Information

Arq-621

Eg5 Kinesin-Related Motor Protein Inhibitor ARQ 621 is a small-molecule inhibitor of the kinesin-related motor protein Eg5 with potential antineoplastic activity. Eg5 kinesin-related motor protein inhibitor ARQ 621 selectively inhibits the activity of Eg5, which may result in mitotic disruption, apoptosis and cell death. The ATP-dependent Eg5 kinesin-related motor protein (also known as KIF11 or kinesin spindle protein-5) is a plus-end directed kinesin motor protein involved in the regulation of spindle dynamics, including assembly and maintenance, during mitosis.

CAS Number1095253-39-6
PubChem CID25110841
IUPAC NameN-(3-aminopropyl)-N-[(1R)-1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)but-3-ynyl]-3-chloro-2-fluorobenzamide
Molecular FormulaC28H24Cl2FN5O2
Molecular Weight552.4
XLogP5.3
Topological Polar Surface Area91
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity920
SMILES
C#CC[C@H](C1=NC2=C(C=CC(=C2)Cl)C(=O)N1NC3=CC=CC=C3)N(CCCN)C(=O)C4=C(C(=CC=C4)Cl)F
InChI
InChI=1S/C28H24Cl2FN5O2/c1-2-8-24(35(16-7-15-32)27(37)21-11-6-12-22(30)25(21)31)26-33-23-17-18(29)13-14-20(23)28(38)36(26)34-19-9-4-3-5-10-19/h1,3-6,9-14,17,24,34H,7-8,15-16,32H2/t24-/m1/s1
InChIKey
UPJSUQWHUVLLNW-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of Arq-621
CAS: 1095253-39-6
CID: 25110841
Formula: C28H24Cl2FN5O2
MW: 552.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.4
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass551.1291086
Monoisotopic Mass551.1291086
Topological Polar Surface Area91 Ų
Heavy Atom Count38
Formal Charge0
Complexity920
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

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