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AS2690168 hydrochloride

CAT: 0013-GTR19249850-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249850-01Size:50 mg
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Description
AS2690168 hydrochloride is an orally bioavailable small molecule inhibitor of RANKL signaling. It effectively suppresses osteoclast formation in RAW264.7 cell-based assays and is a useful research tool for studying bone resorption pathologies, such as osteoporosis and bone metastasis.
CAS Number
1393899-47-2
Field of Research
Signal Transduction
Smiles
FC1=CC (F) =C (CNC2=NC (C3=CC=CC=N3) =NC=C2OC) C (F) =C1.Cl.Cl
Molecular Formula
C17H15Cl2F3N4O
Molecular Weight
419.228
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine;dihydrochloride
CAS Number1393899-47-2
PubChem CID176455429
IUPAC Name5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine;dihydrochloride
Molecular FormulaC17H15Cl2F3N4O
Molecular Weight419.2
Topological Polar Surface Area59.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity407
SMILES
COC1=CN=C(N=C1NCC2=C(C=C(C=C2F)F)F)C3=CC=CC=N3.Cl.Cl
InChI
InChI=1S/C17H13F3N4O.2ClH/c1-25-15-9-23-16(14-4-2-3-5-21-14)24-17(15)22-8-11-12(19)6-10(18)7-13(11)20;;/h2-7,9H,8H2,1H3,(H,22,23,24);2*1H
InChIKey
ANQBHNJWEBMBOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine;dihydrochloride
CAS: 1393899-47-2
CID: 176455429
Formula: C17H15Cl2F3N4O
MW: 419.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass418.0575010
Monoisotopic Mass418.0575010
Topological Polar Surface Area59.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity407
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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