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PF-7006

CAT: 0013-GTR19239222-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239222-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PF-7006 is a potent and selective Mps1 kinase inhibitor (Ki=0.27 nM) that disrupts mitotic checkpoints, leading to apoptosis in cancer cells. It has demonstrated efficacy in breast cancer research models, both in vitro and in vivo, and shows altered cellular tolerance when combined with agents like Palbociclib.
CAS Number
2771955-09-8
Field of Research
Cell Biology, Signal Transduction
Smiles
N#CC1=CNC2=NC (=NC (NC3CCOCC3) =C12) NC4=CC=C (N=C4C) N5CCOCC5
Molecular Formula
C22H26N8O2
Molecular Weight
434.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CAS Number2771955-09-8
PubChem CID155521427
IUPAC Name2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Molecular FormulaC22H26N8O2
Molecular Weight434.5
XLogP2.4
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity662
SMILES
CC1=C(C=CC(=N1)N2CCOCC2)NC3=NC4=C(C(=CN4)C#N)C(=N3)NC5CCOCC5
InChI
InChI=1S/C22H26N8O2/c1-14-17(2-3-18(25-14)30-6-10-32-11-7-30)27-22-28-20-19(15(12-23)13-24-20)21(29-22)26-16-4-8-31-9-5-16/h2-3,13,16H,4-11H2,1H3,(H3,24,26,27,28,29)
InChIKey
BXNPMKUGMSFVIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CAS: 2771955-09-8
CID: 155521427
Formula: C22H26N8O2
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass434.21787210
Monoisotopic Mass434.21787210
Topological Polar Surface Area124 Ų
Heavy Atom Count32
Formal Charge0
Complexity662
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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