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BMS-901715

CAT: 0013-GTR19206411-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206411-02Size:50 mg
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Description
BMS-901715 is a potent and selective small molecule inhibitor of adapter protein-2 associated kinase 1 (AAK1), exhibiting an IC50 of 3.3 nM. This compound is a valuable research tool for investigating clathrin-mediated endocytosis and has been utilized in both cellular and animal models to study neuropathic pain and viral entry mechanisms.
CAS Number
1699861-37-4
Field of Research
Neuroscience
Smiles
N (C=1C2=C (CN3CCC (N) CC3) C=CN2N=CN1) C4=CC (=CC (O) =C4) C5=NN (C (C) C) N=N5
Molecular Formula
C22H28N10O
Molecular Weight
448.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)amino)-5-(2-isopropyl-2H-tetrazol-5-yl)phenol
CAS Number1699861-37-4
PubChem CID118009188
IUPAC Name3-[[5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-(2-propan-2-yltetrazol-5-yl)phenol
Molecular FormulaC22H28N10O
Molecular Weight448.5
XLogP1.9
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity632
SMILES
CC(C)N1N=C(N=N1)C2=CC(=CC(=C2)O)NC3=NC=NN4C3=C(C=C4)CN5CCC(CC5)N
InChI
InChI=1S/C22H28N10O/c1-14(2)32-28-21(27-29-32)16-9-18(11-19(33)10-16)26-22-20-15(3-8-31(20)25-13-24-22)12-30-6-4-17(23)5-7-30/h3,8-11,13-14,17,33H,4-7,12,23H2,1-2H3,(H,24,25,26)
InChIKey
CNACSDYVLFCDEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)amino)-5-(2-isopropyl-2H-tetrazol-5-yl)phenol
CAS: 1699861-37-4
CID: 118009188
Formula: C22H28N10O
MW: 448.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.5
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass448.24475555
Monoisotopic Mass448.24475555
Topological Polar Surface Area135 Ų
Heavy Atom Count33
Formal Charge0
Complexity632
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

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