CRT0044876 | NSC 69877 | CAS# 6960-45-8 | BER inhibitor

MedKoo Cat#: 407359 | Name: CRT0044876

Featured

Description:

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

CRT0044876 is a potent BER inhibitor or DNA Base Excision Repair Pathway Inhibitor (APE1 IC50 - 3 microM). CRT0044876 potentiates the cytotoxicity of several DNA base-targeting compounds, with accumulation of apurinic sites.

Chemical Structure

CRT0044876

CAS#6960-45-8

Theoretical Analysis

MedKoo Cat#: 407359

Name: CRT0044876

CAS#: 6960-45-8

Chemical Formula: C9H6N2O4

Exact Mass: 206.0328

Molecular Weight: 206.16

Elemental Analysis: C, 52.44; H, 2.93; N, 13.59; O, 31.04

Price and Availability

Size	Price	Availability
250mg	USD 250.00	2 Weeks
1g	USD 550.00	2 Weeks
5g	USD 950.00	2 Weeks

Bulk Inquiry

Buy Now

Add to Cart

Related CAS #

No Data

Synonym

CRT0044876; CRT-0044876; CRT 0044876; NSC 69877; NSC-69877; NSC69877.

IUPAC/Chemical Name

7-Nitro-1H-indole-2-carboxylic acid.

InChi Key

BIUCOFQROHIAEO-UHFFFAOYSA-N

InChi Code

InChI=1S/C9H6N2O4/c12-9(13)6-4-5-2-1-3-7(11(14)15)8(5)10-6/h1-4,10H,(H,12,13)

SMILES Code

O=C(C(N1)=CC2=C1C([N+]([O-])=O)=CC=C2)O

Appearance

Solid powder

Purity

>97% (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

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 206.16 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: Bie J, Liu S, Zhou J, Xu B, Shen Z. Design, synthesis and biological evaluation of 7-nitro-1H-indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase. Bioorg Med Chem. 2014 Mar 15;22(6):1850-62. doi: 10.1016/j.bmc.2014.01.047. PubMed PMID: 24530031. 2: Jobson AG, Lountos GT, Lorenzi PL, Llamas J, Connelly J, Cerna D, Tropea JE, Onda A, Zoppoli G, Kondapaka S, Zhang G, Caplen NJ, Cardellina JH 2nd, Yoo SS, Monks A, Self C, Waugh DS, Shoemaker RH, Pommier Y. Cellular inhibition of checkpoint kinase 2 (Chk2) and potentiation of camptothecins and radiation by the novel Chk2 inhibitor PV1019 [7-nitro-1H-indole-2-carboxylic acid {4-[1-(guanidinohydrazone)-ethyl]-phenyl}-amide]. J Pharmacol Exp Ther. 2009 Dec;331(3):816-26. doi: 10.1124/jpet.109.154997. PubMed PMID: 19741151; PubMed Central PMCID: PMC2784710. 3: Madhusudan S, Smart F, Shrimpton P, Parsons JL, Gardiner L, Houlbrook S, Talbot DC, Hammonds T, Freemont PA, Sternberg MJ, Dianov GL, Hickson ID. Isolation of a small molecule inhibitor of DNA base excision repair. Nucleic Acids Res. 2005 Aug 19;33(15):4711-24. PubMed PMID: 16113242; PubMed Central PMCID: PMC1188083. 4: Choi YJ, Li H, Son MY, Wang XH, Fornsaglio JL, Sobol RW, Lee M, Vijg J, Imholz S, Dollé ME, van Steeg H, Reiling E, Hasty P. Deletion of individual Ku subunits in mice causes an NHEJ-independent phenotype potentially by altering apurinic/apyrimidinic site repair. PLoS One. 2014 Jan 23;9(1):e86358. doi: 10.1371/journal.pone.0086358. PubMed PMID: 24466051; PubMed Central PMCID: PMC3900520. 5: Kotera N, Poyer F, Granzhan A, Teulade-Fichou MP. Efficient inhibition of human AP endonuclease 1 (APE1) via substrate masking by abasic site-binding macrocyclic ligands. Chem Commun (Camb). 2015 Nov 14;51(88):15948-51. doi: 10.1039/c5cc06084b. PubMed PMID: 26377038. 6: Naidu MD, Agarwal R, Pena LA, Cunha L, Mezei M, Shen M, Wilson DM 3rd, Liu Y, Sanchez Z, Chaudhary P, Wilson SH, Waring MJ. Lucanthone and its derivative hycanthone inhibit apurinic endonuclease-1 (APE1) by direct protein binding. PLoS One. 2011;6(9):e23679. doi: 10.1371/journal.pone.0023679. PubMed PMID: 21935361; PubMed Central PMCID: PMC3174134. 7: Hajkova P, Jeffries SJ, Lee C, Miller N, Jackson SP, Surani MA. Genome-wide reprogramming in the mouse germ line entails the base excision repair pathway. Science. 2010 Jul 2;329(5987):78-82. doi: 10.1126/science.1187945. PubMed PMID: 20595612; PubMed Central PMCID: PMC3863715. 8: Naidu MD, Mason JM, Pica RV, Fung H, Peña LA. Radiation resistance in glioma cells determined by DNA damage repair activity of Ape1/Ref-1. J Radiat Res. 2010;51(4):393-404. PubMed PMID: 20679741. 9: Jensen NF, Agama K, Roy A, Smith DH, Pfister TD, Rømer MU, Zhang HL, Doroshow JH, Knudsen BR, Stenvang J, Brünner N, Pommier Y. Characterization of DNA topoisomerase I in three SN-38 resistant human colon cancer cell lines reveals a new pair of resistance-associated mutations. J Exp Clin Cancer Res. 2016 Mar 31;35:56. doi: 10.1186/s13046-016-0335-x. PubMed PMID: 27029323; PubMed Central PMCID: PMC4815242. 10: Koll TT, Feis SS, Wright MH, Teniola MM, Richardson MM, Robles AI, Bradsher J, Capala J, Varticovski L. HSP90 inhibitor, DMAG, synergizes with radiation of lung cancer cells by interfering with base excision and ATM-mediated DNA repair. Mol Cancer Ther. 2008 Jul;7(7):1985-92. doi: 10.1158/1535-7163.MCT-07-2104. PubMed PMID: 18645008; PubMed Central PMCID: PMC2671002.