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BOS-172722 100mg

CAT: 0628-A20031-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A20031-100Size:100 mg
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CAS Number
1578245-44-9

Chemical Information

Bos172722

BOS172722 is a novel and selective Monopolar spindle 1 (Mps1) kinase inhibitor identified as a potential anticancer agent. Normally, Mps1 supports the proper division of cancer cells, ensuring survival and replication. The key role of Mps1 in the growth of cancer cells renders it an appealing target for cancer treatment, as its inhibition could lead to favorable effects. An in vivo study combined BOS172722 with [Paclitaxel] for the treatment of triple hormone receptor negative breast cancer, and demonstrated promising synergistic effects.

CAS Number1578245-44-9
PubChem CID73386890
IUPAC Name8-N-(2,2-dimethylpropyl)-2-N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
Molecular FormulaC24H30N8O
Molecular Weight446.5
XLogP4.3
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity616
SMILES
CCOC1=C(C=CC(=C1)C2=NN=CN2C)NC3=NC=C4C=C(N=C(C4=N3)NCC(C)(C)C)C
InChI
InChI=1S/C24H30N8O/c1-7-33-19-11-16(22-31-27-14-32(22)6)8-9-18(19)29-23-25-12-17-10-15(2)28-21(20(17)30-23)26-13-24(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,26,28)(H,25,29,30)
InChIKey
SGWLRDAOCLITOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bos172722
CAS: 1578245-44-9
CID: 73386890
Formula: C24H30N8O
MW: 446.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass446.25425761
Monoisotopic Mass446.25425761
Topological Polar Surface Area103 Ų
Heavy Atom Count33
Formal Charge0
Complexity616
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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