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DORA-22

CAT: 0931-T5500-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T5500-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1088991-95-0
Target
OX Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.9973
Bioactivity
DORA-22 is a dual orexin receptor antagonist, improves mild stress-induced insomnia with minimal effect on memory
Smiles
C(=O)(C1=C(C=CC(F)=C1)C=2N=CC=CN2)N3C[C@H](COC4=CC=C(F)C=N4)CC[C@H]3C
Molecular Formula
C23H22F2N4O2
Molecular Weight
424.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dora-22

an orexin receptor antagonist; structure in first source

CAS Number1088991-95-0
PubChem CID25126515
IUPAC Name[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
Molecular FormulaC23H22F2N4O2
Molecular Weight424.4
XLogP3.6
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity592
SMILES
C[C@@H]1CC[C@H](CN1C(=O)C2=C(C=CC(=C2)F)C3=NC=CC=N3)COC4=NC=C(C=C4)F
InChI
InChI=1S/C23H22F2N4O2/c1-15-3-4-16(14-31-21-8-6-18(25)12-28-21)13-29(15)23(30)20-11-17(24)5-7-19(20)22-26-9-2-10-27-22/h2,5-12,15-16H,3-4,13-14H2,1H3/t15-,16-/m1/s1
InChIKey
ADNQCBKNFSDDHY-HZPDHXFCSA-N
Chemical Structure
2D Structure
2D structure of Dora-22
CAS: 1088991-95-0
CID: 25126515
Formula: C23H22F2N4O2
MW: 424.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.4
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass424.17108228
Monoisotopic Mass424.17108228
Topological Polar Surface Area68.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity592
Isotope Atom Count0
Defined Atom Stereocenter Count2
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
MBS3612002-01DORA-22
GTR19200344-01DORA 42
MBS642072-01IGSF6 (DORA, Immunoglobulin Superfamily Member 6, Protein DORA)
GTR18887047-01Human DORA protein
MBS7609031-01Recombinant Human DORA
128359-PEIGSF6 (DORA, Immunoglobulin Superfamily Member 6, Protein DORA) (PE)
128359-BiotinIGSF6 (DORA, Immunoglobulin Superfamily Member 6, Protein DORA) (Biotin)
128359-APCIGSF6 (DORA, Immunoglobulin Superfamily Member 6, Protein DORA) (APC)
128358-HRPIGSF6 (DORA, Immunoglobulin Superfamily Member 6, Protein DORA) (HRP)
128359-FITCIGSF6 (DORA, Immunoglobulin Superfamily Member 6, Protein DORA) (FITC)

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