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YNT-185 dihydrochloride

CAT: 0931-T37112Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T37112Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1804978-82-2
Target
Others, OX Receptor
Related Pathways
GPCR/G Protein, Others, Neuroscience
Bioactivity
Potent and selective orexin OX2 receptor agonist (EC50 = 28 nM at human OX2 expressed in CHO cells) . Displays approximately 100-fold selectivity for OX2 over OX1 (EC50 = 2.75 μM at human OX1 expressed in CHO cells) . Depolarizes OX2-expressing histaminergic neurons in mouse brain slices. Increases wake time in wild type mice. Suppresses cataplexy-like symptoms in OX knockout mice.
Smiles
Cl.Cl.COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1)-c1cccc(c1)C(=O)N(C)C
Molecular Formula
C33H39Cl2N5O5S
Molecular Weight
688.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

YNT-185 (dihydrochloride)
CAS Number1804978-82-2
PubChem CID140307520
IUPAC Name2-(dimethylamino)-N-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]benzamide;dihydrochloride
Molecular FormulaC33H39Cl2N5O5S
Molecular Weight688.7
Topological Polar Surface Area128
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count46
Formal Charge0
Complexity1030
SMILES
CN(C)C1=CC=CC=C1C(=O)NCCNC2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)OC.Cl.Cl
InChI
InChI=1S/C33H37N5O5S.2ClH/c1-37(2)29-15-7-6-14-28(29)32(39)35-19-18-34-26-12-9-13-27(22-26)36-44(41,42)31-21-24(16-17-30(31)43-5)23-10-8-11-25(20-23)33(40)38(3)4;;/h6-17,20-22,34,36H,18-19H2,1-5H3,(H,35,39);2*1H
InChIKey
AIORBDHFHVKRIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of YNT-185 (dihydrochloride)
CAS: 1804978-82-2
CID: 140307520
Formula: C33H39Cl2N5O5S
MW: 688.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight688.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass687.2048959
Monoisotopic Mass687.2048959
Topological Polar Surface Area128 Ų
Heavy Atom Count46
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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