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MedKoo Cat#: 533511 | Name: LIT-001

Description:

WARNING: This product is for research use only, not for human or veterinary use.

LIT-001 is the First Nonpeptide Oxytocin Receptor Agonist that Improves Social Interaction in a Mouse Model of Autism.

Chemical Structure

LIT-001
CAS#2245072-20-0 (free base)

Theoretical Analysis

MedKoo Cat#: 533511

Name: LIT-001

CAS#: 2245072-20-0 (free base)

Chemical Formula: C28H33N7O2S

Exact Mass: 531.2416

Molecular Weight: 531.68

Elemental Analysis: C, 63.25; H, 6.26; N, 18.44; O, 6.02; S, 6.03

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
2245072-20-0 (free base) 2245072-21-1 (TFA)
Synonym
LIT-001; LIT 001; LIT001
IUPAC/Chemical Name
(S)-2-(Dimethylcarbamothioyl)-N-(2-methyl-4-(1-methyl1,4,5,10-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine-5- carbonyl)benzyl)pyrrolidine-1-carboxamide
InChi Key
AOPORIRPXVMWSL-DEOSSOPVSA-N
InChi Code
InChI=1S/C28H33N7O2S/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/h5-6,8-9,11-12,14,16,24,31H,7,10,13,15,17H2,1-4H3,(H,29,37)/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
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 531.68 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
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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