DG013A | CAS#2007955-07-7 | ERAP2 inhibitor

MedKoo Cat#: 555798 | Name: DG013A

Description:

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

DG013A is a a phosphinic pseudotripeptide and ERAP2 inhibitor with nanomolar potency for ERAP2. A crystal structure of a phosphinic pseudotripeptide (DG013A) bound into the active site of ERAP2 revealed five distinct protein elements that were hypothesized to drive inhibitor potency.

Chemical Structure

DG013A

CAS#2007955-07-7

Theoretical Analysis

MedKoo Cat#: 555798

Name: DG013A

CAS#: 2007955-07-7

Chemical Formula: C27H37N4O4P

Exact Mass: 512.2552

Molecular Weight: 512.59

Elemental Analysis: C, 63.27; H, 7.28; N, 10.93; O, 12.48; P, 6.04

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 #

2007955-07-7

Synonym

DG013A; DG-013A; DG 013A;

IUPAC/Chemical Name

((S)-2-(((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-4-methylpentyl)((R)-1-amino-3-phenylpropyl)phosphinic acid

InChi Key

QKFOTLXPIIESQI-IEZKXTBUSA-N

InChi Code

InChI=1S/C27H37N4O4P/c1-18(2)14-21(17-36(34,35)25(28)13-12-19-8-4-3-5-9-19)27(33)31-24(26(29)32)15-20-16-30-23-11-7-6-10-22(20)23/h3-11,16,18,21,24-25,30H,12-15,17,28H2,1-2H3,(H2,29,32)(H,31,33)(H,34,35)/t21-,24+,25-/m1/s1

SMILES Code

NC([C@H](CC1=CNC2=C1C=CC=C2)NC([C@H](CC(C)C)CP([C@H](CCC3=CC=CC=C3)N)(O)=O)=O)=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

>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

Endoplasmic reticulum aminopeptidase 2 assists with the generation of antigenic peptides for presentation onto Major Histocompatibility Class I molecules in humans. Recent evidence has suggested that the activity of ERAP2 may contribute to the generation of autoimmunity, thus making ERAP2 a possible pharmacological target for the regulation of adaptive immune responses.

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 512.59 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. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5346973/ 2. Mpakali A, Giastas P, Deprez-Poulain R, et al. Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency. ACS Med Chem Lett. 2017;8(3):333‐337. Published 2017 Feb 21. doi:10.1021/acsmedchemlett.6b00505