680C91 | CAS#163239-22-3| TDO inhibitor

MedKoo Cat#: 465266 | Name: 680C91

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Description:

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

680C91 is a Tryptophan 2,3-Dioxygenase (TDO) inhibitor.

Chemical Structure

680C91

CAS#163239-22-3

Theoretical Analysis

MedKoo Cat#: 465266

Name: 680C91

CAS#: 163239-22-3

Chemical Formula: C15H13FN2

Exact Mass: 240.1063

Molecular Weight: 240.28

Elemental Analysis: C, 74.98; H, 5.45; F, 7.91; N, 11.66

Price and Availability

Size	Price	Availability
5mg	USD 290.00	2 Weeks
10mg	USD 525.00	2 Weeks
25mg	USD 950.00	2 Weeks

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Related CAS #

No Data

Synonym

680C91; 680 C91; 680-C91;

IUPAC/Chemical Name

6-fluoro-3-(2-(pyridin-3-yl)ethyl)-1H-indole

InChi Key

NPQZULRNTQFUHN-UHFFFAOYSA-N

InChi Code

InChI=1S/C15H13FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-2,5-10,18H,3-4H2

SMILES Code

FC1=CC=C2C(NC=C2CCC3=CN=CC=C3)=C1

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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

	Solvent	mg/mL	mM
Solubility
	DMSO	23.8	100.00
	Ethanol	11.9	50.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 240.28 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

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Epub 2020 Mar 29. PMID: 32247733. 7: Imbeault S, Goiny M, Liu X, Erhardt S. Effects of IDO1 and TDO2 inhibition on cognitive deficits and anxiety following LPS-induced neuroinflammation. Acta Neuropsychiatr. 2020 Feb;32(1):43-53. doi: 10.1017/neu.2019.44. Epub 2019 Dec 20. PMID: 31753057. 8: Duhalde Vega M, Aparicio JL, Mandour MF, Retegui LA. The autoimmune response elicited by mouse hepatitis virus (MHV-A59) infection is modulated by liver tryptophan-2,3-dioxygenase (TDO). Immunol Lett. 2020 Jan;217:25-30. doi: 10.1016/j.imlet.2019.11.004. Epub 2019 Nov 11. PMID: 31726186. 9: Venkateswaran N, Lafita-Navarro MC, Hao YH, Kilgore JA, Perez-Castro L, Braverman J, Borenstein-Auerbach N, Kim M, Lesner NP, Mishra P, Brabletz T, Shay JW, DeBerardinis RJ, Williams NS, Yilmaz OH, Conacci-Sorrell M. MYC promotes tryptophan uptake and metabolism by the kynurenine pathway in colon cancer. Genes Dev. 2019 Sep 1;33(17-18):1236-1251. doi: 10.1101/gad.327056.119. Epub 2019 Aug 15. PMID: 31416966; PMCID: PMC6719621. 10: Mathsyaraja H, Freie B, Cheng PF, Babaeva E, Catchpole JT, Janssens D, Henikoff S, Eisenman RN. Max deletion destabilizes MYC protein and abrogates Eµ-Myc lymphomagenesis. Genes Dev. 2019 Sep 1;33(17-18):1252-1264. doi: 10.1101/gad.325878.119. Epub 2019 Aug 8. PMID: 31395740; PMCID: PMC6719623. 11: Zhang S, Qi F, Fang X, Yang D, Hu H, Huang Q, Kuang C, Yang Q. Tryptophan 2,3-dioxygenase inhibitory activities of tryptanthrin derivatives. Eur J Med Chem. 2018 Dec 5;160:133-145. doi: 10.1016/j.ejmech.2018.10.017. Epub 2018 Oct 10. PMID: 30321802. 12: Bostian AC, Maddukuri L, Reed MR, Savenka T, Hartman JH, Davis L, Pouncey DL, Miller GP, Eoff RL. Kynurenine Signaling Increases DNA Polymerase Kappa Expression and Promotes Genomic Instability in Glioblastoma Cells. Chem Res Toxicol. 2016 Jan 19;29(1):101-8. doi: 10.1021/acs.chemrestox.5b00452. Epub 2015 Dec 30. 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