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BI-1408

CAT: 1410-M32808-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M32808-02Size:5 mg
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Description
BI-1408 is a modulator potent of γ secretase (IC50: 0.04 μM for Aβ42) .
CAS Number
2231075-94-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
390.46
Molecular Formula
C22H23FN6
Notes
Research use only, not for human use.
Receptor
Gamma-secretase

Chemical Information

CID 138319684
CAS Number2231075-94-6
PubChem CID138319684
IUPAC NameN-[(5R)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Molecular FormulaC22H23FN6
Molecular Weight390.5
XLogP4.2
Topological Polar Surface Area60
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity563
SMILES
CCN1C2=C(C[C@@H](CC2)NC3=NN4C=CC=C(C4=N3)C5=C(C=C(C=C5)F)C)C=N1
InChI
InChI=1S/C22H23FN6/c1-3-28-20-9-7-17(12-15(20)13-24-28)25-22-26-21-19(5-4-10-29(21)27-22)18-8-6-16(23)11-14(18)2/h4-6,8,10-11,13,17H,3,7,9,12H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKey
OHXQPMCUJTWQJA-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of CID 138319684
CAS: 2231075-94-6
CID: 138319684
Formula: C22H23FN6
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass390.19682292
Monoisotopic Mass390.19682292
Topological Polar Surface Area60 Ų
Heavy Atom Count29
Formal Charge0
Complexity563
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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