BOS-172722 25mg

CAT: 0628-A20031-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A20031-25Size:25 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 Number	1578245-44-9
PubChem CID	73386890
IUPAC Name	8-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 Formula	C24H30N8O
Molecular Weight	446.5
XLogP	4.3
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	33
Formal Charge	0
Complexity	616

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

CAS: 1578245-44-9

CID: 73386890

Formula: C24H30N8O

MW: 446.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	446.5
XLogP3	4.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	446.25425761
Monoisotopic Mass	446.25425761
Topological Polar Surface Area	103 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	616
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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P522400	Bos d 3 Protein (Bos domesticus)
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BOS-172722 25mg

Chemical Information

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