| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
LIT-001 primarily targets the oxytocin receptor (OT-R), a G protein-coupled receptor involved in social behavior, stress regulation, and various physiological processes. It acts as a selective nonpeptide agonist with an EC50 of 55 nM and a Ki of 226 nM. LIT-001 activates both major OT-R signaling pathways without bias. The compound also shows minor off-target effects at higher concentrations, including antagonism at V1a vasopressin receptors and agonism at V1b receptors.
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| ln Vitro |
LIT-001 is an impartial OT-R agonist on the two primary signaling pathways of this receptor in in vitro signaling assays. At high dosages, there was only a minor antagonistic effect on the V1a receptor and an agonistic effect on the V1b receptor. Operation[1].
In vitro, LIT-001 functions as a potent and selective nonpeptide oxytocin receptor agonist with an EC50 of 55 nM and a Ki of 226 nM. It activates both major receptor signaling pathways without preference. The compound's activity is typically evaluated using cell-based assays measuring calcium mobilization or cAMP accumulation in cells expressing the oxytocin receptor. At higher concentrations, LIT-001 exhibits minor off-target effects, including antagonism at V1a and agonism at V1b vasopressin receptors. |
| ln Vivo |
The intraperitoneal medication LIT-001 (10–20 mg/kg) reduces the main symptoms of autism spectrum disorder (ASD) [1].
In vivo, LIT-001 improves social interaction in mouse models of autism spectrum disorder (ASD). In preclinical studies, LIT-001 administered at 10-20 mg/kg via intraperitoneal injection alleviates core symptoms of ASD. The compound is specific and non-toxic in the Eurofins safetyScreen panel, with the exception of a theoretical antidiuretic effect at V2 vasopressin receptors. LIT-001 has been investigated for its potential therapeutic applications in autism, alcohol addiction, neuropathic pain, and social anxiety. |
| Enzyme Assay |
Cell-free assays for LIT-001 involve evaluating its binding affinity to the oxytocin receptor. Radioligand binding assays are performed using membrane preparations from cells expressing recombinant human oxytocin receptors. LIT-001 is incubated with membranes and a radiolabeled OT-R ligand. Competition binding experiments determine Ki values (226 nM). Selectivity is assessed by testing the compound against other receptors including vasopressin V1a, V1b, and V2 receptors.
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| Cell Assay |
For in vitro cellular assays, LIT-001 is typically dissolved in DMSO and diluted in cell culture medium. Cells expressing the oxytocin receptor are treated with various concentrations of LIT-001. Functional assays such as calcium flux or cAMP accumulation are used to measure OT-R activation. EC50 values (55 nM) are determined from dose-response curves. The compound's ability to activate both major signaling pathways without bias is assessed. Cytotoxicity is evaluated using standard cell viability assays.
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| Animal Protocol |
Animal/Disease Models: Oprm1–/– mice (raised indoors on a 50% 129SVPas–50% C57BL/6J hybrid background) [1]
Doses: 10, 20 mg/kg Route of Administration: intraperitoneal Experimental Results: Autism Spectrum Core symptoms of ASD are relieved. In vivo animal studies for LIT-001 are conducted in mouse models of autism spectrum disorder. The compound is administered via intraperitoneal injection at doses of 10-20 mg/kg. Social interaction deficits are assessed using behavioral assays such as the three-chamber social interaction test. Efficacy is evaluated by comparing social interaction scores between treatment and control groups. The compound's effects on other behaviors and physiological parameters are monitored. Pharmacodynamic studies assess OT-R engagement and downstream signaling. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of LIT-001 include a molecular weight of 645.70 g/mol and molecular formula C30H34F3N7O4S. The compound has a purity of ≥95%. As a small molecule, it is expected to have reasonable oral bioavailability. The compound is typically formulated for in vivo administration using appropriate vehicles. Detailed ADME parameters such as half-life, Cmax, and AUC are not extensively reported in the available literature. Storage recommendations include keeping the compound at appropriate conditions to prevent degradation.
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| Toxicity/Toxicokinetics |
The toxicity profile of LIT-001 has been characterized in preclinical studies. The compound is specific and non-toxic in the Eurofins safetyScreen panel, with the exception of a theoretical antidiuretic effect at V2 vasopressin receptors. At higher concentrations, LIT-001 exhibits only minor off-target effects. Standard toxicology studies would include acute and sub-chronic toxicity assessments. The compound is intended for research use only and not for therapeutic applications in humans. Standard safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
LIT-001 is the first reported nonpeptide oxytocin receptor (OT-R) agonist with an EC50 of 55 nM and a Ki of 226 nM. It activates both major OT-R signaling pathways without bias and exhibits minor off-target effects at higher concentrations. In preclinical studies, LIT-001 (10-20 mg/kg, i.p.) alleviates core symptoms of autism spectrum disorder in mouse models. LIT-001 is a valuable research tool for studying oxytocin biology and neuropsychiatric disorders. It has not entered clinical trials and is strictly for research purposes.
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| Molecular Formula |
C30H34F3N7O4S
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|---|---|
| Molecular Weight |
645.695675373077
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| Exact Mass |
645.234
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| CAS # |
2245072-21-1
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| Related CAS # |
LIT-001 free base;2245072-20-0
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| PubChem CID |
145711713
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
45
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| Complexity |
971
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| Defined Atom Stereocenter Count |
1
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| SMILES |
S=C([C@@H]1CCCN1C(NCC1C=CC(=CC=1C)C(N1C2C=CC=CC=2NC2=C(C=NN2C)C1)=O)=O)N(C)C.FC(C(=O)O)(F)F
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| InChi Key |
BZHSRXWFCSEPQQ-JIDHJSLPSA-N
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| InChi Code |
InChI=1S/C28H33N7O2S.C2HF3O2/c1-18-14-19(11-12-20(18)15-29-28(37)34-13-7-10-24(34)27(38)32(2)3)26(36)35-17-21-16-30-33(4)25(21)31-22-8-5-6-9-23(22)35;3-2(4,5)1(6)7/h5-6,8-9,11-12,14,16,24,31H,7,10,13,15,17H2,1-4H3,(H,29,37);(H,6,7)/t24-;/m0./s1
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| Chemical Name |
(2S)-2-(dimethylcarbamothioyl)-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
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| Synonyms |
LIT001; LIT 001
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~154.87 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.17 mg/mL (3.36 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 21.7 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.17 mg/mL (3.36 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 21.7 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.17 mg/mL (3.36 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.5487 mL | 7.7435 mL | 15.4871 mL | |
| 5 mM | 0.3097 mL | 1.5487 mL | 3.0974 mL | |
| 10 mM | 0.1549 mL | 0.7744 mL | 1.5487 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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