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BT44

CAT: 0804-HY-153175-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-153175-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BT44 is a selective RET activator. BT44 can penetrate through the blood-brain barrier and can be used for the research of neurodegenerative disorders and diabetes mellitus[1][2].
CAS Number
924759-42-2
UNSPSC
12352005
Hazard Statement
H302-H315-H319
Target
RET
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/bt44.html
Purity
99.08
Solubility
DMSO : 62.5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(N1CCN(CC1)C2=CC(S(=O)(N3CC4=C(CC3)C=CC=C4)=O)=CC=C2OC)C5=CC=C(C=C5C(F)(F)F)F
Molecular Formula
C28H27F4N3O4S
Molecular Weight
577.59
Precautions
P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501
References & Citations
[1]Viisanen H, et al. Novel RET agonist for the treatment of experimental neuropathies. Mol Pain. 2020 Jan-Dec;16:1744806920950866.|[2]Renko JM, et al. Neuroprotective Potential of a Small Molecule RET Agonist in Cultured Dopamine Neurons and Hemiparkinsonian Rats. J Parkinsons Dis. 2021;11 (3) :1023-1046.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CAS Number924759-42-2
PubChem CID46088367
IUPAC Name[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
Molecular FormulaC28H27F4N3O4S
Molecular Weight577.6
XLogP4.6
Topological Polar Surface Area78.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count40
Formal Charge0
Complexity985
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)N4CCN(CC4)C(=O)C5=C(C=C(C=C5)F)C(F)(F)F
InChI
InChI=1S/C28H27F4N3O4S/c1-39-26-9-7-22(40(37,38)35-11-10-19-4-2-3-5-20(19)18-35)17-25(26)33-12-14-34(15-13-33)27(36)23-8-6-21(29)16-24(23)28(30,31)32/h2-9,16-17H,10-15,18H2,1H3
InChIKey
MFQBJWVTKPJNEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CAS: 924759-42-2
CID: 46088367
Formula: C28H27F4N3O4S
MW: 577.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight577.6
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass577.16584017
Monoisotopic Mass577.16584017
Topological Polar Surface Area78.5 Ų
Heavy Atom Count40
Formal Charge0
Complexity985
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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