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BT18

CAT: 0804-HY-111969-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-111969-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BT18 is a molecule mimic with function similar to glial cell line-derived neurotrophic factor (GDNF) [1]. BT18 shows an effect on GDNF family receptor GFRα1 and RET receptor tyrosine kinase RetA function[2].
CAS Number
924811-53-0
UNSPSC
12352005
Target
GDNF Receptor
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/bt18.html
Concentration
10mM
Purity
99.77
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N1CCN(C2=CC(S(=O)(N3CC4=C(C=C(OC)C(OC)=C4)CC3)=O)=CC=C2OC)CC1)C5=CC=C(F)C=C5C(F)(F)F
Molecular Formula
C30H31F4N3O6S
Molecular Weight
637.64
References & Citations
[1]Leo Jakman, Characterization of small-molecule GDNF mimics.|[2]Ivanova L, et al. Molecular Dynamics Simulations of the Interactions between Glial Cell Line-DerivedNeurotrophic Factor Family Receptor GFRα1 and Small-Molecule Ligands. ACS Omega. 2018 Sep 30;3 (9) :11407-11414.
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-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxyphenyl]piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CAS Number924811-53-0
PubChem CID46088742
IUPAC Name[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxyphenyl]piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
Molecular FormulaC30H31F4N3O6S
Molecular Weight637.6
XLogP4.5
Topological Polar Surface Area97
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count44
Formal Charge0
Complexity1090
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)N4CCN(CC4)C(=O)C5=C(C=C(C=C5)F)C(F)(F)F
InChI
InChI=1S/C30H31F4N3O6S/c1-41-26-7-5-22(44(39,40)37-9-8-19-14-27(42-2)28(43-3)15-20(19)18-37)17-25(26)35-10-12-36(13-11-35)29(38)23-6-4-21(31)16-24(23)30(32,33)34/h4-7,14-17H,8-13,18H2,1-3H3
InChIKey
QVIIZVVDZZHGCB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxyphenyl]piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CAS: 924811-53-0
CID: 46088742
Formula: C30H31F4N3O6S
MW: 637.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight637.6
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass637.18696954
Monoisotopic Mass637.18696954
Topological Polar Surface Area97 Ų
Heavy Atom Count44
Formal Charge0
Complexity1090
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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Alternative Products

CatalogName
BA8975-100BT18
A19378-50BT18 50mg
A19378-25BT18 25mg
A19378-10BT18 10mg
A19378-1BT18 1mg
A19378-5BT18 5mg
A19378-100BT18 100mg
A19378-2BT18 2mg
A19378-10mM-DBT18 10mM * 1mL in DMSO

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