BJJF078 | CAS#2531244-56-9 | TG2 Inhibitor

MedKoo Cat#: 564321 | Name: BJJF078

Description:

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

BJJF078 is a potent inhibitor of recombinant human and mouse Transglutaminase enzyme activity, mainly TG2 and the closely related enzyme TG1.

Chemical Structure

BJJF078

CAS#2531244-56-9

Theoretical Analysis

MedKoo Cat#: 564321

Name: BJJF078

CAS#: 2531244-56-9

Chemical Formula: C27H29N3O6S

Exact Mass: 523.1777

Molecular Weight: 523.60

Elemental Analysis: C, 61.94; H, 5.58; N, 8.03; O, 18.33; S, 6.12

Price and Availability

Size	Price	Availability
5mg	USD 90.00	Ready to ship
10mg	USD 150.00	Ready to ship
25mg	USD 250.00	Ready to ship
50mg	USD 450.00	Ready to ship
100mg	USD 750.00	Ready to ship
200mg	USD 1,250.00	Ready to ship
500mg	USD 2,750.00	Ready to ship

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Related CAS #

No Data

Synonym

BJJF-078; BJJF 078; BJJF078

IUPAC/Chemical Name

N-(5-((4-Acrylamidopiperidin-1-yl)sulfonyl)naphthalen-1-yl)-3,4-dimethoxybenzamide

InChi Key

IJRQXDUGUAWTNT-UHFFFAOYSA-N

InChi Code

InChI=1S/C27H29N3O6S/c1-4-26(31)28-19-13-15-30(16-14-19)37(33,34)25-10-6-7-20-21(25)8-5-9-22(20)29-27(32)18-11-12-23(35-2)24(17-18)36-3/h4-12,17,19H,1,13-16H2,2-3H3,(H,28,31)(H,29,32)

SMILES Code

O=C(NC1=C2C=CC=C(S(=O)(N3CCC(NC(C=C)=O)CC3)=O)C2=CC=C1)C4=CC=C(OC)C(OC)=C4

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

>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

2934.99.03.00

More Info

Product Data

Product Data

Certificate of Analysis

View CoA: current batch, Lot#A23T11K04

QC Data

View QC data: current batch, Lot#A23T11K04

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Biological target:

BJJF078 effectively inhibits human and mouse transglutaminase activity, particularly TG2 and TG1. BJJF078 does not impact motor symptoms in encephalomyelitis symptoms. In the spinal cord, neither BJJF078 nor ERW1041E induced significant changes in pathology, transglutaminase activity, or inflammation-related marker expression compared to vehicle-treated controls.

In vitro activity:

To be determined

In vivo activity:

BJJF078 is a potent inhibitor of recombinant human and mouse transglutaminase enzyme activity, mainly TG2 and TG1. BJJF078 did not affect the binding of TG2 to the extracellular matrix substrate fibronectin. ERW1041E (but not BJJF078) resulted in reduced experimental autoimmune encephalomyelitis motor-symptoms. BJJF078 did not cause changes in pathology, transglutaminase activity, or expression of inflammation related markers in the spinal cord. Reference: Erratum in: PLoS One. 2018 Dec 13;13(12):e0209522. https://pubmed.ncbi.nlm.nih.gov/29689097/

Preparing Stock Solutions

The following data is based on the product molecular weight 523.60 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. Chrobok NL, Bol JGJM, Jongenelen CA, Brevé JJP, El Alaoui S, Wilhelmus MMM, Drukarch B, van Dam AM. Characterization of Transglutaminase 2 activity inhibitors in monocytes in vitro and their effect in a mouse model for multiple sclerosis. PLoS One. 2018 Apr 24;13(4):e0196433. doi: 10.1371/journal.pone.0196433. Erratum in: PLoS One. 2018 Dec 13;13(12):e0209522. PMID: 29689097; PMCID: PMC5918173.

In vitro protocol:

To be determined

In vivo protocol:

1: Chrobok NL, Bol JGJM, Jongenelen CA, Brevé JJP, El Alaoui S, Wilhelmus MMM, Drukarch B, van Dam AM. Characterization of Transglutaminase 2 activity inhibitors in monocytes in vitro and their effect in a mouse model for multiple sclerosis. PLoS One. 2018 Apr 24;13(4):e0196433. doi: 10.1371/journal.pone.0196433. eCollection 2018. PubMed PMID: 29689097; PubMed Central PMCID: PMC5918173.