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SBI-553

CAT: 0013-GTR19174169-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174169-02Size:25 mg
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Description
SBI-553 is a potent, brain-penetrant allosteric modulator of the neurotensin receptor 1 (NTR1) with an EC50 of 0.34 μM. It is a valuable research tool for investigating NTR1 function in neurological disorders and is suitable for both in vitro binding assays and in vivo behavioral studies.
CAS Number
1849603-72-0
Product Name Alternative
Inhibit, Neurotensin Receptor, NeurotensinReceptor, NTR1, Inhibitor, SBI553, SBI-553, SBI 553
Field of Research
Neuroscience
Purity
>98%
Form
Powder
Solubility
Soluble in DMSO (up to at least 12 mg/ml)
Smiles
COc1ccccc1C1CCN (CC1) c1nc (nc2ccc (cc12) N (C) CCO) C1 (F) CC1
Molecular Formula
C26H31FN4O2
Molecular Weight
450.6
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
2-[[2- (1-Fluorocyclopropyl) -4-[4- (2-methoxyphenyl) piperidin-1-yl) quinazolin-6-yl]methylamino]ethanol

Chemical Information

2-((2-(1-Fluorocyclopropyl)-4-(4-(2-methoxyphenyl)piperidin-1-yl)quinazolin-6-yl)(methyl)amino)ethan-1-ol
CAS Number1849603-72-0
PubChem CID118610427
IUPAC Name2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
Molecular FormulaC26H31FN4O2
Molecular Weight450.5
XLogP4.2
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity642
SMILES
CN(CCO)C1=CC2=C(C=C1)N=C(N=C2N3CCC(CC3)C4=CC=CC=C4OC)C5(CC5)F
InChI
InChI=1S/C26H31FN4O2/c1-30(15-16-32)19-7-8-22-21(17-19)24(29-25(28-22)26(27)11-12-26)31-13-9-18(10-14-31)20-5-3-4-6-23(20)33-2/h3-8,17-18,32H,9-16H2,1-2H3
InChIKey
BLWXTJQMEBQCIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((2-(1-Fluorocyclopropyl)-4-(4-(2-methoxyphenyl)piperidin-1-yl)quinazolin-6-yl)(methyl)amino)ethan-1-ol
CAS: 1849603-72-0
CID: 118610427
Formula: C26H31FN4O2
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass450.24310441
Monoisotopic Mass450.24310441
Topological Polar Surface Area61.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity642
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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