MedKoo Cat#: 571365 | Name: TC-OT 39
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Description:

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

TC-OT 39 is a potent non-peptide oxytocin receptor partial agonist.

Chemical Structure

TC-OT 39
TC-OT 39
CAS#479232-57-0

Theoretical Analysis

MedKoo Cat#: 571365

Name: TC-OT 39

CAS#: 479232-57-0

Chemical Formula: C32H40N8O2S

Exact Mass: 600.2995

Molecular Weight: 600.79

Elemental Analysis: C, 63.97; H, 6.71; N, 18.65; O, 5.33; S, 5.34

Price and Availability

Size Price Availability Quantity
10mg USD 750.00 2 Weeks
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Related CAS #
No Data
Synonym
TC-OT 39, TC OT 39, TCOT 39
IUPAC/Chemical Name
(2S)-N-[[4-[(4,10-Dihydro-1-methylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]-2-methylphenyl]methyl]-2-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)thioxomethyl]-1-pyrrolidinecarboxamide
InChi Key
KSNHHKZYKYNBEI-NDEPHWFRSA-N
InChi Code
InChI=1S/C32H40N8O2S/c1-22-18-23(30(41)40-21-25-20-34-37(3)29(25)35-26-8-4-5-9-27(26)40)11-12-24(22)19-33-32(42)39-15-6-10-28(39)31(43)38-14-7-13-36(2)16-17-38/h4-5,8-9,11-12,18,20,28,35H,6-7,10,13-17,19,21H2,1-3H3,(H,33,42)/t28-/m0/s1
SMILES Code
O=C(N1[C@H](C(N2CCN(C)CCC2)=S)CCC1)NCC3=CC=C(C(N4CC5=C(N(C)N=C5)NC6=CC=CC=C46)=O)C=C3C
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
>2 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 600.79 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: Lacivita E, Perrone R, Margari L, Leopoldo M. Targets for Drug Therapy for Autism Spectrum Disorder: Challenges and Future Directions. J Med Chem. 2017 Oct 30. doi: 10.1021/acs.jmedchem.7b00965. [Epub ahead of print] PubMed PMID: 29039668. 2: Moy SS, Teng BL, Nikolova VD, Riddick NV, Simpson CD, Van Deusen A, Janzen WP, Sassano MF, Pedersen CA, Jarstfer MB. Prosocial effects of an oxytocin metabolite, but not synthetic oxytocin receptor agonists, in a mouse model of autism. Neuropharmacology. 2019 Jan;144:301-311. doi: 10.1016/j.neuropharm.2018.10.036. Epub 2018 Nov 3. PMID: 30399367; PMCID: PMC7384330.