GIC1001 CTB salt |CAS#1456509-46-8 | CAS#39133-31-8 | opioid receptor agonist

MedKoo Cat#: 529617 | Name: GIC1001 CTB salt

Description:

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

GIC-1001 is a 3-carbamothioylbenzenesulfonate (CTB) salt of its free base. is an opioid receptor agonist potentially for the treatment of pain.

Chemical Structure

GIC1001 CTB salt

CAS#1456509-46-8 (CTB salt)

Theoretical Analysis

MedKoo Cat#: 529617

Name: GIC1001 CTB salt

CAS#: 1456509-46-8 (CTB salt)

Chemical Formula: C29H36N2O8S2

Exact Mass:

Molecular Weight: 604.73

Elemental Analysis: C, 57.60; H, 6.00; N, 4.63; O, 21.17; S, 10.60

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.

Bulk Inquiry

Related CAS #

1456509-46-8 (CTB salt) 39133-31-8 (free base).

Synonym

GIC-1001; GIC1001; GIC 1001; GIC1001 TB-905-02; GIC1001 CTB salt; GIC1001 3-carbamothioylbenzenesulfonate salt.

IUPAC/Chemical Name

2-(dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate 3-carbamothioylbenzenesulfonate

InChi Key

ACKBGPXURGPUEW-UHFFFAOYSA-N

InChi Code

InChI=1S/C22H29NO5.C7H7NO3S2/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;8-7(12)5-2-1-3-6(4-5)13(9,10)11/h8-14H,7,15H2,1-6H3;1-4H,(H2,8,12)(H,9,10,11)

SMILES Code

O=C(OCC(C1=CC=CC=C1)(N(C)C)CC)C2=CC(OC)=C(OC)C(OC)=C2.O=S(C3=CC=CC(C(N)=S)=C3)(O)=O

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 604.73 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.

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: Paquette JM, Rufiange M, Iovu Niculita M, Massicotte J, Lefebvre M, Colin P, Telmat A, Ranger M. Safety, tolerability and pharmacokinetics of trimebutine 3-thiocarbamoylbenzenesulfonate (GIC-1001) in a randomized phase I integrated design study: single and multiple ascending doses and effect of food in healthy volunteers. Clin Ther. 2014 Nov 1;36(11):1650-64. doi: 10.1016/j.clinthera.2014.08.005. PubMed PMID: 25224876. 2: Cenac N, Castro M, Desormeaux C, Colin P, Sie M, Ranger M, Vergnolle N. A novel orally administered trimebutine compound (GIC-1001) is anti-nociceptive and features peripheral opioid agonistic activity and Hydrogen Sulphide-releasing capacity in mice. Eur J Pain. 2016 May;20(5):723-30. doi: 10.1002/ejp.798. PubMed PMID: 26541237. 3: Montpetit H, Ranger M, Colin P, Furtado M, Garofolo F. Discovery of a novel trimebutine metabolite and its impact on N-desmethyltrimebutine quantification by LC-MS/MS. Bioanalysis. 2015;7(8):1007-15. doi: 10.4155/bio.15.31. PubMed PMID: 25966011.