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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
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| Quantity | mg | Unit Price ($/mg or $/Unit) | Final Price |
|---|---|---|---|
| 1 | 100 | $9.45 | Total: $945.00 |
| 1 | 50 | $10.92 | Total: $546.00 |
| 1 | 25 | $12.81 | Total: $320.25 |
| 1 | 10 | $15.12 | Total: $151.20 |
| 1 | 5 | $17.85 | Total: $89.25 |
Data sheet
| Molecular Formula | C30H34F3N7O4S |
| Molecular Weight | 645.70 |
| CAS Numbers | 2245072-21-1 (TFA) |
| Storage Condition | 0°C (short term), -20°C (long term), desiccated |
| Solubility | DMSO |
| Purity | 98% by HPLC |
| Synonym | LIT-001; LIT 001; LIT001; LIT-001 TFA; LIT-001; LIT001; LIT 001; |
| 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 |
| 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. |
More info
The First Nonpeptide Oxytocin Receptor Agonist that Improves Social Interaction in a Mouse Model of Autism.
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