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CB-184

CAT: 0013-GTR19240569-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240569-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CB-184 is a potent and selective sigma-2 receptor ligand (Ki = 13.4 nM) with pro-apoptotic activity. Its selectivity over the sigma-1 receptor (Ki = 7436 nM) and antitumor effects make it a valuable research tool for investigating oncology, neurobiology, and cell death mechanisms in both in vitro and in vivo models.
CAS Number
165307-47-1
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C\1C[C@@]2 (C[C@] (/C1=C\C3=CC (Cl) =C (Cl) C=C3) (N (C) CC2) [H]) C4=CC (O) =CC=C4
Molecular Formula
C22H21Cl2NO2
Molecular Weight
402.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1R,5R,8E)-8-[(3,4-dichlorophenyl)methylidene]-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
CAS Number165307-47-1
PubChem CID5468874
IUPAC Name(1R,5R,8E)-8-[(3,4-dichlorophenyl)methylidene]-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
Molecular FormulaC22H21Cl2NO2
Molecular Weight402.3
XLogP4.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity609
SMILES
CN1CC[C@]2(C[C@@H]1/C(=C\C3=CC(=C(C=C3)Cl)Cl)/C(=O)C2)C4=CC(=CC=C4)O
InChI
InChI=1S/C22H21Cl2NO2/c1-25-8-7-22(15-3-2-4-16(26)11-15)12-20(25)17(21(27)13-22)9-14-5-6-18(23)19(24)10-14/h2-6,9-11,20,26H,7-8,12-13H2,1H3/b17-9+/t20-,22-/m1/s1
InChIKey
SSPWSCFMVXPMNL-COSXAGSESA-N
Chemical Structure
2D Structure
2D structure of (1R,5R,8E)-8-[(3,4-dichlorophenyl)methylidene]-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
CAS: 165307-47-1
CID: 5468874
Formula: C22H21Cl2NO2
MW: 402.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.3
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass401.0949343
Monoisotopic Mass401.0949343
Topological Polar Surface Area40.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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