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Mps1-IN-6 (Compound 9)

CAT: 0957-E1428-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E1428-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2489220-49-5
Target
MPS1
Applications
Cytoskeletal Signaling
Molecular Formula
C24H27N7O2
Additionnal Information
Mps1-IN-6 (Compound 9) is a potent Mps1 inhibitor with IC50 of 6.4 nM. It also exhibits antiproliferative and anti-tumor activity in breast cancer cells.

Chemical Information

4-(Cyclohexylamino)-2-[[2-methoxy-4-(2-oxo-1-pyrrolidinyl)phenyl]amino]-7H-pyrrolo[2,3-D]pyrimidine-5-carbonitrile
CAS Number2489220-49-5
PubChem CID155118903
IUPAC Name4-(cyclohexylamino)-2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Molecular FormulaC24H27N7O2
Molecular Weight445.5
XLogP3.8
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity736
SMILES
COC1=C(C=CC(=C1)N2CCCC2=O)NC3=NC4=C(C(=CN4)C#N)C(=N3)NC5CCCCC5
InChI
InChI=1S/C24H27N7O2/c1-33-19-12-17(31-11-5-8-20(31)32)9-10-18(19)28-24-29-22-21(15(13-25)14-26-22)23(30-24)27-16-6-3-2-4-7-16/h9-10,12,14,16H,2-8,11H2,1H3,(H3,26,27,28,29,30)
InChIKey
LOHMGKJWMIIPRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Cyclohexylamino)-2-[[2-methoxy-4-(2-oxo-1-pyrrolidinyl)phenyl]amino]-7H-pyrrolo[2,3-D]pyrimidine-5-carbonitrile
CAS: 2489220-49-5
CID: 155118903
Formula: C24H27N7O2
MW: 445.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.5
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass445.22262313
Monoisotopic Mass445.22262313
Topological Polar Surface Area119 Ų
Heavy Atom Count33
Formal Charge0
Complexity736
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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Alternative Products

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