TC-O9311
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 530602

CAS#: 444932-31-4

Description: TC-O9311 is a potent GPR139 agonist (EC50 = 39 nM in CHO-K1 cells expressing human GPR139).

Chemical Structure

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TC-O9311
CAS# 444932-31-4
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 530602
Name: TC-O9311
CAS#: 444932-31-4
Chemical Formula: C20H19N3O4
Exact Mass: 365.14
Molecular Weight: 365.390
Elemental Analysis: C, 65.74; H, 5.24; N, 11.50; O, 17.51

Price and Availability

Size Price Availability Quantity
10mg USD 150 Ready to ship
25mg USD 250 Ready to ship
50mg USD 450 Ready to ship
100mg USD 750 Ready to ship
200mg USD 1350 Ready to ship
500mg USD 2950 Ready to ship
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Synonym: TC-O 9311, TC-O-9311, TC-O9311, TCO 9311, TCO-9311, TCO9311

IUPAC/Chemical Name: 3,5-dimethoxy-benzoic acid, 2-[(1-naphthalenylamino)carbonyl]hydrazide

InChi Key: KPTMSQHTGZMEFU-UHFFFAOYSA-N

InChi Code: InChI=1S/C20H19N3O4/c1-26-15-10-14(11-16(12-15)27-2)19(24)22-23-20(25)21-18-9-5-7-13-6-3-4-8-17(13)18/h3-12H,1-2H3,(H,22,24)(H2,21,23,25)

SMILES Code: O=C(NNC(NC1=C2C=CC=CC2=CC=C1)=O)C3=CC(OC)=CC(OC)=C3

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:

Biological target: TC-O 9311 is a potent GPR139 agonist
In vitro activity: TBD
In vivo activity: A screening campaign identified compound 1a as a high potency GPR139 agonist with an EC50 = 39 nM in a calcium mobilization assay in CHO-K1 cells stably expressing the GPR139 receptor. In the absence of a known endogenous ligand, the maximum effect was set as 100% for 1a. Screening against 90 diverse targets revealed no cross-reactivity issues. Assessment of the pharmacokinetic properties showed limited utility as in vivo tool compound in rat with a poor whole brain exposure of 61 ng/g and a brain/plasma (b/p) ratio of 0.03. Attempts to identify a more suitable analogue identified the des-nitrogen analogue 1s with a reduced polar surface area of 76.7 Å(2) and an improved b/p ratio of 2.8. The whole brain exposure remained low at 95 ng/g due to a low plasma exposure. Reference: Shi et al (2011) Discovery and SAR of a series of agonists at orphan G protein-coupled receptor 139. ACS Med.Chem.Lett. 2 303

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 14.0 38.32
DMF 11.0 30.10
Ethanol 14.0 38.32
PBS (pH 7.2) 5.0 13.68

Preparing Stock Solutions

The following data is based on the product molecular weight 365.39 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
Formulation protocol: TBD
In vitro protocol: TBD
In vivo protocol: Shi et al (2011) Discovery and SAR of a series of agonists at orphan G protein-coupled receptor 139. ACS Med.Chem.Lett. 2 303

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1: Shi F, Shen JK, Chen D, Fog K, Thirstrup K, Hentzer M, Karlsson JJ, Menon V, Jones KA, Smith KE, Smith G. Discovery and SAR of a Series of Agonists at Orphan G Protein-Coupled Receptor 139. ACS Med Chem Lett. 2011 Feb 28;2(4):303-6. doi: 10.1021/ml100293q. eCollection 2011 Apr 14. PubMed PMID: 24900311; PubMed Central PMCID: PMC4028000.