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TCS 1102

CAT: 0013-GTR19174708-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19174708-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TCS 1102 is a potent dual orexin receptor antagonist with high affinity for OX2 (Ki=0.2 nM) and OX1 (Ki=3 nM) receptors. It is a valuable research tool for studying sleep-wake regulation and is used in both in vitro binding assays and in vivo models of insomnia.
CAS Number
916141-36-1
Product Name Alternative
Fear, hypocretin, Hypocretin Receptor, Inhibitor, HCRT Receptor, inhibit, orexin, Orexin Receptor (OX Receptor), anxiety, DORA-1, central activity, OX2, OX1, OX Receptor, OXReceptor, post-traumatic stress disorder, pharmacodynamic model, T-maze, TCS 1102, TCS-1102, TCS1102
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.35% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.25 mM) ; DMSO:50 mg/mL (106.25 mM) ; Ethanol:100 mM
Smiles
Cn1c (SCC (=O) N2CCC[C@@H]2C (=O) Nc2ccccc2-c2ccccc2) nc2ccccc12
Molecular Formula
C27H26N4O2S
Molecular Weight
470.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tcs 1102

an antagonist of both orexin receptor 1 and orexin receptor 2

CAS Number916141-36-1
PubChem CID11960895
IUPAC Name(2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
Molecular FormulaC27H26N4O2S
Molecular Weight470.6
XLogP4.9
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity715
SMILES
CN1C2=CC=CC=C2N=C1SCC(=O)N3CCC[C@H]3C(=O)NC4=CC=CC=C4C5=CC=CC=C5
InChI
InChI=1S/C27H26N4O2S/c1-30-23-15-8-7-14-22(23)29-27(30)34-18-25(32)31-17-9-16-24(31)26(33)28-21-13-6-5-12-20(21)19-10-3-2-4-11-19/h2-8,10-15,24H,9,16-18H2,1H3,(H,28,33)/t24-/m0/s1
InChIKey
YSBGRVXJEMSEQY-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of Tcs 1102
CAS: 916141-36-1
CID: 11960895
Formula: C27H26N4O2S
MW: 470.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.6
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass470.17764726
Monoisotopic Mass470.17764726
Topological Polar Surface Area92.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity715
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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