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BT44

CAT: 0013-GTR19184285-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184285-01Size:1 mg
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Description
BT44 is a second-generation GDNF mimetic with enhanced biological activity, representing a promising lead compound for neurodegenerative disease research. It has demonstrated neuroprotective and neurorestorative effects in both in vitro neuronal culture models and in vivo animal studies of Parkinson's disease.
CAS Number
924759-42-2
Product Name Alternative
BT 44, BT44, BT-44, RETagonistBT44
Field of Research
Cell Biology, Signal Transduction
Purity
99.87% (May vary between batches)
Solubility
DMSO:45 mg/mL (77.91 mM)
Smiles
O (C) C1=C (C=C (S (=O) (=O) N2CC=3C (CC2) =CC=CC3) C=C1) N4CCN (C (=O) C5=C (C (F) (F) F) C=C (F) C=C5) CC4
Molecular Formula
C28H27F4N3O4S
Molecular Weight
577.59
Storage Conditions
-20°C
Notes
For research use only.

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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