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TCS 1102 - ≥98%(HPLC), high purity , CAS No.916141-36-1, Antagonist of OX 1 receptor;Antagonist of OX 2 receptor

COA COA
In stock
Item Number
T287352
Grouped product items
SKU Size
Availability
 Price Qty
T287352-10mg
10mg
3
$109.90
T287352-25mg
25mg
3
$247.90
T287352-50mg
50mg
2
$391.90
T287352-100mg
100mg
2
$705.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Potent, dual orexin receptor antagonist

View related series
Class A GPCR (4138) GPCR/G Protein (3172) Neuronal Signaling (3320) Orexin Receptor (OX Receptor) (38) OX1 receptor Antagonist (25) OX2 receptor Antagonist (27)

Basic Description

Synonyms N-[1,1'-Biphenyl]-2-yl-1-[2-[(1-methyl-1H-benzimidazol-2-yl)thio]acetyl-2-pyrrolidinedicarboxamide
Specifications & Purity Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms Potent, dual orexin receptor antagonist (Kivalues are 0.2 and 3 nM for OX2and OX1receptors respectively). Inhibits ADL-orexin B-mediated locomotion following i.p. administrationin vivoand blocksorexin-A mediated increases in feeding behaviour. Brain penet
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type ANTAGONIST
Mechanism of action Antagonist of OX 1 receptor;Antagonist of OX 2 receptor
Product Description

Product Describtion:
TCS 1102 is a potent, dual orexin receptor antagonist (Ki values are 0.2 and 3 nM for OX2 and OX1 receptors respectively). IC50 value: 0.2 nM (Ki, OX2 receptor); 3 nM (Ki, OX1 receptor) ；Target: OX2 and OX1 receptor TCS-1102 (10 and 20 mg/kg, i.p.) were found to decrease fear and anxiety in rats 14 days after exposure to footshock.Furthermore, TCS-1102 (10 mg/kg, i.p.) was found to have anxiolytic effects that were specific for HR when tested in the elevated T-maze.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic acids and derivatives
Class Carboxylic acids and derivatives
Subclass Amino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent Proline and derivatives
Alternative Parents Alpha amino acid amides  Biphenyls and derivatives  Anilides  Benzimidazoles  Pyrrolidinecarboxamides  N-arylamides  N-acylpyrrolidines  Alkylarylthioethers  N-substituted imidazoles  Tertiary carboxylic acid amides  Heteroaromatic compounds  Secondary carboxylic acid amides  Sulfenyl compounds  Azacyclic compounds  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Proline or derivatives - Alpha-amino acid amide - Biphenyl - Benzimidazole - Anilide - Aryl thioether - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - N-arylamide - Pyrrolidine-2-carboxamide - Alkylarylthioether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors Not available

Associated Targets(Human)

HCRTR1 Tclin Orexin receptor type 1 (2 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HCRTR2 Tclin Orexin receptor type 2 (3 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
SLC18A2 Tclin Synaptic vesicular amine transporter (118 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HCRTR1 Tclin Orexin receptor 1 (5435 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HCRTR2 Tclin Orexin receptor 2 (5902 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Brain (1 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasma (328 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Cerebrospinal fluid (288 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504766843
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504766843
IUPAC Name (2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
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
Smiles CN1C2=CC=CC=C2N=C1SCC(=O)N3CCCC3C(=O)NC4=CC=CC=C4C5=CC=CC=C5
Isomeric SMILES CN1C2=CC=CC=C2N=C1SCC(=O)N3CCC[C@H]3C(=O)NC4=CC=CC=C4C5=CC=CC=C5
PubChem CID 11960895
MeSH Entry Terms N-(1,1'-biphenyl)-2-yl-1-(2-((1-methyl-1H-benzimidazol-2-yl)thio)acetyl-2-pyrrolidinedicarboxamide;TCS 1102;TCS1102
Molecular Weight 470.59

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number Certificate Type Date Item
L2419317 Certificate of Analysis Jan 03, 2025 T287352
A2205628 Certificate of Analysis Oct 11, 2024 T287352
A2205629 Certificate of Analysis Oct 11, 2024 T287352
A2205625 Certificate of Analysis Oct 11, 2024 T287352
A2205627 Certificate of Analysis Oct 11, 2024 T287352

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 47.06, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 47.06, Max Conc. mM: 100
Molecular Weight 470.600 g/mol
XLogP3 4.900
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 470.178 Da
Monoisotopic Mass 470.178 Da
Topological Polar Surface Area 92.500 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 715.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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