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ARQ 621 5mg

CAT: 0628-A14234-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A14234-5Size:5 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
Loading 3D structure...
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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