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MP07-66

CAT: 0957-E0956-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E0956-01Size:5 mg
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Description
MP07-66, a FTY720 analogue, is devoid of immunosuppressive effects and shows promising antitumor effects in chronic lymphocytic leukemia by disruption of the SET-PP2A complex leading to PP2A reactivation.
CAS Number
1938056-90-6
Target
Phosphatase
Activity
Metabolism
Molecular Formula
C19H33NO3
Storage Conditions
2 years -20°C liquid

Chemical Information

2,2-Diethoxy-N-(4-(hexyloxy)benzyl)ethanamine
CAS Number1938056-90-6
PubChem CID154113489
IUPAC Name2,2-diethoxy-N-[(4-hexoxyphenyl)methyl]ethanamine
Molecular FormulaC19H33NO3
Molecular Weight323.5
XLogP4.2
Topological Polar Surface Area39.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count23
Formal Charge0
Complexity249
SMILES
CCCCCCOC1=CC=C(C=C1)CNCC(OCC)OCC
InChI
InChI=1S/C19H33NO3/c1-4-7-8-9-14-23-18-12-10-17(11-13-18)15-20-16-19(21-5-2)22-6-3/h10-13,19-20H,4-9,14-16H2,1-3H3
InChIKey
WBCMPXCRPPCZSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-Diethoxy-N-(4-(hexyloxy)benzyl)ethanamine
CAS: 1938056-90-6
CID: 154113489
Formula: C19H33NO3
MW: 323.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight323.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass323.24604391
Monoisotopic Mass323.24604391
Topological Polar Surface Area39.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity249
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