ABC99
featured

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

MedKoo CAT#: 407513

CAS#: 2331255-53-7

Description: ABC99 is a Selective Irreversible Inhibitors of the Wnt-Deacylating Enzyme, ABC99 inhibited NOTUM with an IC50 value of 13 nM and showed excellent selectivity across the serine hydrolase family, as initially assessed by gel-based ABPP of soluble and membrane proteomes from SW620 cells. ABC99 preserves Wnt-mediated cell signaling in the presence of NOTUM and was also converted into an ABPP probe for visualizing NOTUM in native biological systems.


Chemical Structure

img
ABC99
CAS# 2331255-53-7

Theoretical Analysis

MedKoo Cat#: 407513
Name: ABC99
CAS#: 2331255-53-7
Chemical Formula: C22H21ClN4O5
Exact Mass: 456.12
Molecular Weight: 456.883
Elemental Analysis: C, 57.84; H, 4.63; Cl, 7.76; N, 12.26; O, 17.51

Price and Availability

Size Price Availability Quantity
1.0mg USD 300.0 2 Weeks
5.0mg USD 750.0 2 Weeks
Bulk inquiry

Synonym: ABC99; ABC-99; ABC 99;

IUPAC/Chemical Name: 7-(4-chlorobenzyl)-1,3-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl 2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxylate

InChi Key: OZPZCETZTBBQBO-UHFFFAOYSA-N

InChi Code: InChI=1S/C22H21ClN4O5/c23-16-7-5-15(6-8-16)13-24-9-10-25-18(14-24)20(28)27(21(25)29)32-22(30)26-11-12-31-19-4-2-1-3-17(19)26/h1-8,18H,9-14H2

SMILES Code: O=C(N1C2=CC=CC=C2OCC1)ON(C3=O)C(N4C3CN(CC5=CC=C(Cl)C=C5)CC4)=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

Preparing Stock Solutions

The following data is based on the product molecular weight 456.883 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.

Recalculate based on batch purity %
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

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

Selective Irreversible Inhibitors of the Wnt-Deacylating Enzyme NOTUM Developed by Activity-Based Protein Profiling
Radu M. Suciu, Armand B. Cognetta III, Zachary E. Potter, and Benjamin F. Cravatt
Publication Date (Web): May 26, 2018 (Letter)
DOI: 10.1021/acsmedchemlett.8b00191

ABC99

1.0mg / USD 300.0


Additional Information

Wnt proteins are secreted morphogens that play critical roles in embryonic development and tissue remodeling in adult organisms. Aberrant Wnt signaling contributes to diseases such as cancer. Wnts are modified by an unusual O-fatty acylation event (O-linked palmitoleoylation
of a conserved serine) that is required for binding to Frizzled receptors. O-Palmitoleoylation of Wnts is introduced by the porcupine (PORCN) acyltransferase and removed by the
serine hydrolase NOTUM. PORCN inhibitors are under development for oncology, while NOTUM inhibitors have potential for treating degenerative diseases