aTAG 2139 | CAS# 2387510-81-6 | MTH1 Fusion Protein Degrader

MedKoo Cat#: 574065 | Name: aTAG 2139

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Description:

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

aTAG 2139 is a degrader of MTH1 fusion proteins for use within the aTAG system.

Chemical Structure

aTAG 2139

CAS#2387510-81-6

Theoretical Analysis

MedKoo Cat#: 574065

Name: aTAG 2139

CAS#: 2387510-81-6

Chemical Formula: C42H38N8O8

Exact Mass: 782.2813

Molecular Weight: 782.81

Elemental Analysis: C, 64.44; H, 4.89; N, 14.31; O, 16.35

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 750.00	2 Weeks

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Related CAS #

2387510-81-6 2758431-99-9 (NEG)

Synonym

aTAG 2139, aTAG2139, aTAG-2139, CFT2139, CFT-2139, CFT 2139

IUPAC/Chemical Name

6-(6-((4-(2-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamido)butyl)carbamoyl)pyridin-3-yl)-N-methyl-4-(phenylamino)quinoline-3-carboxamide

InChi Key

IKLCDLVLZPLJRR-UHFFFAOYSA-N

InChi Code

InChI=1S/C42H38N8O8/c1-43-38(53)29-22-47-30-14-12-24(20-28(30)37(29)48-26-8-3-2-4-9-26)25-13-15-31(46-21-25)39(54)45-19-6-5-18-44-35(52)23-58-33-11-7-10-27-36(33)42(57)50(41(27)56)32-16-17-34(51)49-40(32)55/h2-4,7-15,20-22,32H,5-6,16-19,23H2,1H3,(H,43,53)(H,44,52)(H,45,54)(H,47,48)(H,49,51,55)

SMILES Code

O=C(CCC1N2C(C3=C(C(OCC(NCCCCNC(C4=CC=C(C5=CC=C(N=CC(C(NC)=O)=C6NC7=CC=CC=C7)C6=C5)C=N4)=O)=O)=CC=C3)C2=O)=O)NC1=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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 782.81 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: Samaranayake GJ, Huynh M, Rai P. MTH1 as a Chemotherapeutic Target: The Elephant in the Room. Cancers (Basel). 2017 May 8;9(5). pii: E47. doi: 10.3390/cancers9050047. Review. PubMed PMID: 28481306; PubMed Central PMCID: PMC5447957. 2: Warpman Berglund U, Sanjiv K, Gad H, Kalderén C, Koolmeister T, Pham T, Gokturk C, Jafari R, Maddalo G, Seashore-Ludlow B, Chernobrovkin A, Manoilov A, Pateras IS, Rasti A, Jemth AS, Almlöf I, Loseva O, Visnes T, Einarsdottir BO, Gaugaz FZ, Saleh A, Platzack B, Wallner OA, Vallin KS, Henriksson M, Wakchaure P, Borhade S, Herr P, Kallberg Y, Baranczewski P, Homan EJ, Wiita E, Nagpal V, Meijer T, Schipper N, Rudd SG, Bräutigam L, Lindqvist A, Filppula A, Lee TC, Artursson P, Nilsson JA, Gorgoulis VG, Lehtiö J, Zubarev RA, Scobie M, Helleday T. Validation and development of MTH1 inhibitors for treatment of cancer. Ann Oncol. 2016 Dec;27(12):2275-2283. doi: 10.1093/annonc/mdw429. Epub 2016 Nov 8. PubMed PMID: 27827301.