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(3S,4R) -PF-6683324

CAT: 0013-GTR19184995-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184995-01Size:25 mg
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Description
(3S,4R) -PF-6683324 is a potent and selective tropomyosin receptor kinase (Trk) inhibitor used in biochemical and cellular research. Studies indicate its utility in investigating pain pathways and oncology, with demonstrated activity in both in vitro assays and in vivo preclinical models.
CAS Number
1799789-00-6
Field of Research
Signal Transduction
Smiles
O (C1=C (C (N) =O) C=C (C=N1) C=2N=CN (C) C2) [C@H]3[C@@H] (F) CN (C (CC4=CC=C (OC (F) (F) F) C=C4) =O) CC3
Molecular Formula
C24H23F4N5O4
Molecular Weight
521.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[(3S,4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-5-(1-methylimidazol-4-yl)pyridine-3-carboxamide
CAS Number1799789-00-6
PubChem CID118189484
IUPAC Name2-[(3S,4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-5-(1-methylimidazol-4-yl)pyridine-3-carboxamide
Molecular FormulaC24H23F4N5O4
Molecular Weight521.5
XLogP2.7
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity798
SMILES
CN1C=C(N=C1)C2=CC(=C(N=C2)O[C@@H]3CCN(C[C@@H]3F)C(=O)CC4=CC=C(C=C4)OC(F)(F)F)C(=O)N
InChI
InChI=1S/C24H23F4N5O4/c1-32-12-19(31-13-32)15-9-17(22(29)35)23(30-10-15)36-20-6-7-33(11-18(20)25)21(34)8-14-2-4-16(5-3-14)37-24(26,27)28/h2-5,9-10,12-13,18,20H,6-8,11H2,1H3,(H2,29,35)/t18-,20+/m0/s1
InChIKey
XJIIVPVOGYFVME-AZUAARDMSA-N
Chemical Structure
2D Structure
2D structure of 2-[(3S,4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-5-(1-methylimidazol-4-yl)pyridine-3-carboxamide
CAS: 1799789-00-6
CID: 118189484
Formula: C24H23F4N5O4
MW: 521.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.5
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass521.16861688
Monoisotopic Mass521.16861688
Topological Polar Surface Area113 Ų
Heavy Atom Count37
Formal Charge0
Complexity798
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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