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TCS 1102

CAT: 0013-GTR19160184-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160184-05Size:50 mg
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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 (Ki values are 0.2 and 3 nM for OX2 and OX1 receptors respectively) . TCS 1102 inhibits ADL-orexin B-mediated locomotion following i.p. administration in vivo and blocks orexin-A (Cat.No.1455) mediated increases in feeding behaviour.
CAS Number
916141-36-1
Product Name Alternative
TCS 1102, TCS1102, TCS-1102
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 100 mg/mL; 212.50 mM
Smiles
Cn1c2ccccc2nc1SCC (=O) N1CCC[C@H]1C (=O) Nc1ccccc1c1ccccc1
Molecular Formula
C27H26N4O2S
Molecular Weight
470.59
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(2S) -1-[2- (1-methylbenzimidazol-2-yl) sulfanylacetyl]-N- (2-phenylphenyl) pyrrolidine-2-carboxamide

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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