JBI-589 | CAS#2308504-22-3 | PAD4 inhibitor

MedKoo Cat#: 130321 | Name: JBI-589

Description:

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

JBI-589, an inhibitor of neutrophil peptidylarginine deiminase 4 (PAD4), has been shown to reduce the expression of CXCR2 and prevent neutrophil chemotaxis in mice with tumors, suggesting that targeting PD4 may serve as a potential treatment for cancer. JBI-589 has also shown promise in the treatment of inflammatory and autoimmune disorders.

Chemical Structure

JBI-589

CAS#2308504-22-3

Theoretical Analysis

MedKoo Cat#: 130321

Name: JBI-589

CAS#: 2308504-22-3

Chemical Formula: C29H28FN5O

Exact Mass: 481.2278

Molecular Weight: 481.58

Elemental Analysis: C, 72.33; H, 5.86; F, 3.95; N, 14.54; O, 3.32

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 #

No Data

Synonym

JBI-589; JBI589; JBI 589

IUPAC/Chemical Name

(R)-(3-aminopiperidin-1-yl)(2-(1-(4-fluorobenzyl)-1H-indol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl)methanone

InChi Key

DUVCPNSLXBKGOK-XMMPIXPASA-N

InChi Code

InChI=1S/C29H28FN5O/c1-19-28(32-27-16-22(12-14-34(19)27)29(36)33-13-4-6-24(31)18-33)26-15-21-5-2-3-7-25(21)35(26)17-20-8-10-23(30)11-9-20/h2-3,5,7-12,14-16,24H,4,6,13,17-18,31H2,1H3/t24-/m1/s1

SMILES Code

O=C(N1C[C@H](N)CCC1)C2=CC3=NC(C(N4CC5=CC=C(F)C=C5)=CC6=C4C=CC=C6)=C(C)N3C=C2

Appearance

To be determined

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

Preparing Stock Solutions

The following data is based on the product molecular weight 481.58 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. Deng H, Lin C, Garcia-Gerique L, Fu S, Cruz Z, Bonner EE, Rosenwasser M, Rajagopal S, Sadhu MN, Gajendran C, Zainuddin M, Gosu R, Sivanandhan D, Shelef MA, Nam B, Vogl DT, Gabrilovich DI, Nefedova Y. A Novel Selective Inhibitor JBI-589 Targets PAD4-Mediated Neutrophil Migration to Suppress Tumor Progression. Cancer Res. 2022 Oct 4;82(19):3561-3572. doi: 10.1158/0008-5472.CAN-21-4045. PMID: 36069973; PMCID: PMC9532374. 2. Gajendran C, Fukui S, Sadhu NM, Zainuddin M, Rajagopal S, Gosu R, Gutch S, Fukui S, Sheehy CE, Chu L, Vishwakarma S, Jeyaraj DA, Hallur G, Wagner DD, Sivanandhan D. Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4. Sci Rep. 2023 Feb 23;13(1):3189. doi: 10.1038/s41598-023-30246-2. PMID: 36823444; PMCID: PMC9950073.