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MIPS-9922

CAT: 0013-GTR19197062-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197062-03Size:100 mg
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Description
MIPS-9922 is a potent and selective PI3Kβ inhibitor that suppresses platelet function. It effectively blocks integrin αIIbβ3 activation, platelet adhesion under shear, and ADP-induced aggregation. This makes it a valuable research tool for studying thrombosis and cardiovascular diseases in both in vitro and in vivo settings.
CAS Number
1416956-33-6
Field of Research
Signal Transduction
Smiles
C (F) (F) C=1N (C=2C (N1) =CC=CC2) C=3N=C (N=C (N3) N4CCOCC4) N5CCN (C ([C@H] (CC6=CC=CC=C6) N) =O) CC5
Molecular Formula
C28H31F2N9O2
Molecular Weight
563.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 71526878
CAS Number1416956-33-6
PubChem CID71526878
IUPAC Name(2S)-2-amino-1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-3-phenylpropan-1-one
Molecular FormulaC28H31F2N9O2
Molecular Weight563.6
XLogP3
Topological Polar Surface Area119
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity854
SMILES
C1CN(CCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5)C(=O)[C@H](CC6=CC=CC=C6)N
InChI
InChI=1S/C28H31F2N9O2/c29-23(30)24-32-21-8-4-5-9-22(21)39(24)28-34-26(33-27(35-28)38-14-16-41-17-15-38)37-12-10-36(11-13-37)25(40)20(31)18-19-6-2-1-3-7-19/h1-9,20,23H,10-18,31H2/t20-/m0/s1
InChIKey
VOPWCDJBVPMVLJ-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of CID 71526878
CAS: 1416956-33-6
CID: 71526878
Formula: C28H31F2N9O2
MW: 563.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight563.6
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass563.25687759
Monoisotopic Mass563.25687759
Topological Polar Surface Area119 Ų
Heavy Atom Count41
Formal Charge0
Complexity854
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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