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LIT-001
AOB13977
CAS: 2245072-21-1 (TFA)
Chemical Name: (S)-2-(Dimethylcarbamothioyl)-N-(2-methyl-4-(1-methyl-1,4,5,10-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)benzyl)pyrrolidine-1-carboxamide, Trifluoroacetate
741 Items
Quantity Discount Table - Order More To Get More Price Discount
| Quantity | mg | Unit Price ($/mg or $/Unit) | Final Price |
|---|---|---|---|
| 1 | 5 | $17.85 | Total: $89.25 |
| 1 | 10 | $15.12 | Total: $151.20 |
| 1 | 25 | $12.81 | Total: $320.25 |
| 1 | 50 | $10.92 | Total: $546.00 |
| 1 | 100 | $9.45 | Total: $945.00 |
Overview
The First Nonpeptide Oxytocin Receptor Agonist that Improves Social Interaction in a Mouse Model of Autism.
Chemical Properties
| Molecular Formula | C30H34F3N7O4S |
| Molecular Weight | 645.70 |
| CAS Numbers | 2245072-21-1 (TFA) |
| Solubility | DMSO |
| Purity | 98% by HPLC |
| IUPAC/Chemical Name | (S)-2-(Dimethylcarbamothioyl)-N-(2-methyl-4-(1-methyl-1,4,5,10-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)benzyl)pyrrolidine-1-carboxamide, Trifluoroacetate |
| InChl Key | BZHSRXWFCSEPQQ-JIDHJSLPSA-N |
| InChl 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 |
| SMILES Code | O=C(N1[C@H](C(N(C)C)=S)CCC1)NCC2=CC=C(C(N3C4=CC=CC=C4NC(N(C)N=C5)=C5C3)=O)C=C2C.O=C(O)C(F)(F)F |
Storage and Handling
0°C (short term), -20°C (long term), desiccated
Synonyms
LIT-001; LIT 001; LIT001; LIT-001 TFA; LIT-001; LIT001; LIT 001;
References
1) Frantz MC, Pellissier L, Pflimlin E, Loison S, Gandia J, Marsol C, Durroux T, Mouillac B, Becker J, Le Merrer J, Valencia C, Villa P, Bonnet D, Hibert M. LIT-001, the First Nonpeptide Oxytocin Receptor Agonist that Improves Social Interaction in a Mouse Model of Autism. J Med Chem. 2018 Sep 10. doi: 10.1021/acs.jmedchem.8b00697. [Epub ahead of print] PubMed PMID: 30199637.
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