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Q134R

CAT: 0931-T35892-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T35892-02Size:50 mg
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CAS Number
2022949-46-6
Target
Others
Related Pathways
Others
Bioactivity
Q134R, a neuroprotective derivative of hydroxyquinoline, effectively inhibits nuclear factor of activated T-cell (NFAT) signaling and possesses the ability to cross the blood-brain barrier. This compound shows promise for research into Alzheimer's disease (AD) and aging-related disorders[1].
Smiles
Cc1ccnc(N[C@H](c2ccc(cc2)C(F)(F)F)c2ccc3cccnc3c2O)n1
Molecular Formula
C22H17F3N4O
Molecular Weight
410.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-[(R)-[(4-methylpyrimidin-2-yl)amino]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CAS Number2022949-46-6
PubChem CID122604490
IUPAC Name7-[(R)-[(4-methylpyrimidin-2-yl)amino]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
Molecular FormulaC22H17F3N4O
Molecular Weight410.4
XLogP4.9
Topological Polar Surface Area70.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity555
SMILES
CC1=NC(=NC=C1)N[C@H](C2=CC=C(C=C2)C(F)(F)F)C3=C(C4=C(C=CC=N4)C=C3)O
InChI
InChI=1S/C22H17F3N4O/c1-13-10-12-27-21(28-13)29-18(15-4-7-16(8-5-15)22(23,24)25)17-9-6-14-3-2-11-26-19(14)20(17)30/h2-12,18,30H,1H3,(H,27,28,29)/t18-/m1/s1
InChIKey
PFCKQDHXCWWBSM-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of 7-[(R)-[(4-methylpyrimidin-2-yl)amino]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CAS: 2022949-46-6
CID: 122604490
Formula: C22H17F3N4O
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass410.13544566
Monoisotopic Mass410.13544566
Topological Polar Surface Area70.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity555
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

Alternative Products

CatalogName
MBS5784956Q134R

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