LFS-829 | CAS#1799330-89-4

MedKoo Cat#: 555747 | Name: LFS-829

Description:

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

LFS-829 is a a small-molecule antagonist of exportin-1. LFS-829 showed low-range nanomolar activities. Oral administration of LFS-829 can significantly reverse the pathological features of colitis model mice. LFS-829 can attenuate dual NF-κB signaling and the Nrf2 cytoprotection pathway via targeting exportin-1 in colitis mice. Moreover, LFS-829 has a very low risk of cardiotoxicity and acute toxicity. LFS-829 holds great promise for the treatment of colitis and may warrant translation for use in clinical trials.

Chemical Structure

LFS-829

CAS#1799330-89-4

Theoretical Analysis

MedKoo Cat#: 555747

Name: LFS-829

CAS#: 1799330-89-4

Chemical Formula: C13H9F6NOS2

Exact Mass: 373.0030

Molecular Weight: 373.33

Elemental Analysis: C, 41.82; H, 2.43; F, 30.53; N, 3.75; O, 4.29; S, 17.18

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 #

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Synonym

LFS-829; LFS 829; LFS829;

IUPAC/Chemical Name

(S,E)-1-((4-isothiocyanatobut-1-en-1-yl)sulfinyl)-3,5-bis(trifluoromethyl)benzene

InChi Key

RHGMNEJBFFWLNY-ZGVNINRLSA-N

InChi Code

InChI=1S/C13H9F6NOS2/c14-12(15,16)9-5-10(13(17,18)19)7-11(6-9)23(21)4-2-1-3-20-8-22/h2,4-7H,1,3H2/b4-2+/t23-/m0/s1

SMILES Code

O=[S@](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)/C=C/CCN=C=S

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

Exportin-1 (also named as CRM1) plays a prominent role in autoimmune disorders and has emerged as a potential therapeutic target for colitis.

Product Data

Product Data

Instruction

View handling instruction

Biological target:

LFS-829 is a a small-molecule antagonist of exportin-1.

In vitro activity:

Moreover, this study demonstrated that the C528S mutation or the knockdown on exportin-1 can abolish the cellular activities of LFS-829. Reference: J Med Chem. 2020 Apr 23;63(8):3881-3895. https://pubmed.ncbi.nlm.nih.gov/32223194/

In vivo activity:

Strikingly, oral administration of LFS-829 can significantly reverse the pathological features of colitis model mice. This study revealed that LFS-829 can attenuate dual NF-κB signaling and the Nrf2 cytoprotection pathway via targeting exportin-1 in colitis mice. Reference: J Med Chem. 2020 Apr 23;63(8):3881-3895. https://pubmed.ncbi.nlm.nih.gov/32223194/

Preparing Stock Solutions

The following data is based on the product molecular weight 373.33 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

Formulation protocol:

1. Tian X, Gao J, Liu M, Lei Y, Wang F, Chen J, Chu P, Gao J, Long F, Liang M, Long X, Chu H, Liu C, Li X, Sun Q, Li G, Yang Y. Small-Molecule Antagonist Targeting Exportin-1 via Rational Structure-Based Discovery. J Med Chem. 2020 Apr 23;63(8):3881-3895. doi: 10.1021/acs.jmedchem.9b01663. Epub 2020 Apr 10. PMID: 32223194.

In vitro protocol:

In vivo protocol:

Small-Molecule Antagonist Targeting Exportin-1 via Rational Structure-Based Discovery Xibao TianJiali GaoMeishuo LiuYuqin LeiFangjun WangJin ChenPeng ChuJiujiao GaoFeida LongMinzhi LiangXiangyu LongHuiying ChuCuixia LiuXueliang LiQingxiang Sun*Guohui Li*Yongliang Yang* Journal of Medicinal Chemistry, Articles ASAP (Article)Subscribed Access Publication Date (Web):March 30, 2020