NITD008 | CAS#1044589-82-3 | antiviral

NITD008
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 561315

CAS#: 1044589-82-3

Description: NITD008 is an antiviral drug. It was developed as a potential treatment for flavivirus infections, and shows broad spectrum antiviral activity against many related viruses such as Dengue virus, West Nile virus, yellow fever virus, Powassan virus, Hepatitis C virus, Kyasanur Forest disease virus, Omsk hemorrhagic fever virus and Zika virus. Unfortunately NITD008 proved too toxic in pre-clinical animal testing to be suitable for human trials, but it continues to be used in research to find improved treatments for emerging viral diseases.

Chemical Structure

NITD008

CAS# 1044589-82-3

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 561315
Name: NITD008
CAS#: 1044589-82-3
Chemical Formula: C13H14N4O4
Exact Mass: 290.10
Molecular Weight: 290.279
Elemental Analysis: C, 53.79; H, 4.86; N, 19.30; O, 22.05

Price and Availability

Size	Price	Availability
5mg	USD 320	2 Weeks
25mg	USD 1010	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: NITD008; NITD 008; NITD-008;

IUPAC/Chemical Name: (2R,3R,4R,5R)-2-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol

InChi Key: NKRAIOQPSBRMOV-NRMKKVEVSA-N

InChi Code: InChI=1S/C13H14N4O4/c1-2-13(20)9(19)8(5-18)21-12(13)17-4-3-7-10(14)15-6-16-11(7)17/h1,3-4,6,8-9,12,18-20H,5H2,(H2,14,15,16)/t8-,9-,12-,13-/m1/s1

SMILES Code: O[C@@]1(C#C)[C@H](N2C=CC3=C(N)N=CN=C32)O[C@H](CO)[C@H]1O

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

More Info:

Product Data:

Product Data

Instruction:

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Biological target:	NITD008 is a potent and selective flaviviruse inhibitor which can inhibit Dengue Virus Type 2 (DENV-2) with an EC50 of 0.64 μM.
In vitro activity:	This study shows that the nucleoside analogue (NA), NITD008, has limited toxicity and inhibits calicivirus replication in all three model systems with EC50 values of 0.94 μM, 0.91 µM, and 0.21 µM for MNV, FCV, and the Norwalk replicon, respectively. NITD008 has a similar level of potency to the most well-studied NA 2'-C-methylcytidine in vitro. Significantly, we also show that continual NITD008 treatment effectively cleared the Norwalk replicon from cells and treatment with 5 µM NITD008 was sufficient to completely prevent rebound. Reference: Viruses. 2019 May 30;11(6):496. https://pubmed.ncbi.nlm.nih.gov/31151251/
In vivo activity:	In DENV-3 inoculated mice, NITD-008 treatment prevented lethality in all animals compared to 83% lethality in vehicle controls (p<0.0001; Table 1). NITD-008 treatment of DENV-2 infected mice did not provide complete protection from lethality, but did significantly increase the number of animals that survived to the end of the study from 0% to 50% (p=0.014), and in mice that developed lethal infection the mean day of death (MDD) was significantly extended compared vehicle treated controls (14.2 ± 1.9 vs 7.0 ±1.0 days; p= 0.002; Table 1). Reference: Antiviral Res. 2018 Jun;154:104-109. https://pubmed.ncbi.nlm.nih.gov/29665374/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	27.9	96.13

Preparing Stock Solutions

The following data is based on the product molecular weight 290.28 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. Enosi Tuipulotu D, Fumian TM, Netzler NE, Mackenzie JM, White PA. The Adenosine Analogue NITD008 has Potent Antiviral Activity against Human and Animal Caliciviruses. Viruses. 2019 May 30;11(6):496. doi: 10.3390/v11060496. PMID: 31151251; PMCID: PMC6631109. 2. Touret F, Baronti C, Goethals O, Van Loock M, de Lamballerie X, Querat G. Phylogenetically based establishment of a dengue virus panel, representing all available genotypes, as a tool in dengue drug discovery. Antiviral Res. 2019 Aug;168:109-113. doi: 10.1016/j.antiviral.2019.05.005. Epub 2019 May 11. PMID: 31085207. 3. Milligan GN, White M, Zavala D, Pyles RB, Sarathy VV, Barrett ADT, Bourne N. Spectrum of activity testing for therapeutics against all four dengue virus serotypes in AG129 mouse models: Proof-of-concept studies with the adenosine nucleoside inhibitor NITD-008. Antiviral Res. 2018 Jun;154:104-109. doi: 10.1016/j.antiviral.2018.04.012. Epub 2018 Apr 14. PMID: 29665374; PMCID: PMC6685202. 4. Deng YQ, Zhang NN, Li CF, Tian M, Hao JN, Xie XP, Shi PY, Qin CF. Adenosine Analog NITD008 Is a Potent Inhibitor of Zika Virus. Open Forum Infect Dis. 2016 Aug 30;3(4):ofw175. doi: 10.1093/ofid/ofw175. PMID: 27747251; PMCID: PMC5063548.
In vitro protocol:	1. Enosi Tuipulotu D, Fumian TM, Netzler NE, Mackenzie JM, White PA. The Adenosine Analogue NITD008 has Potent Antiviral Activity against Human and Animal Caliciviruses. Viruses. 2019 May 30;11(6):496. doi: 10.3390/v11060496. PMID: 31151251; PMCID: PMC6631109. 2. Touret F, Baronti C, Goethals O, Van Loock M, de Lamballerie X, Querat G. Phylogenetically based establishment of a dengue virus panel, representing all available genotypes, as a tool in dengue drug discovery. Antiviral Res. 2019 Aug;168:109-113. doi: 10.1016/j.antiviral.2019.05.005. Epub 2019 May 11. PMID: 31085207.
In vivo protocol:	1. Milligan GN, White M, Zavala D, Pyles RB, Sarathy VV, Barrett ADT, Bourne N. Spectrum of activity testing for therapeutics against all four dengue virus serotypes in AG129 mouse models: Proof-of-concept studies with the adenosine nucleoside inhibitor NITD-008. Antiviral Res. 2018 Jun;154:104-109. doi: 10.1016/j.antiviral.2018.04.012. Epub 2018 Apr 14. PMID: 29665374; PMCID: PMC6685202. 2. Deng YQ, Zhang NN, Li CF, Tian M, Hao JN, Xie XP, Shi PY, Qin CF. Adenosine Analog NITD008 Is a Potent Inhibitor of Zika Virus. Open Forum Infect Dis. 2016 Aug 30;3(4):ofw175. doi: 10.1093/ofid/ofw175. PMID: 27747251; PMCID: PMC5063548.

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1: Deng CL, Zhang QY, Chen DD, Liu SQ, Qin CF, Zhang B, Ye HQ. Recovery of the Zika virus through an in vitro ligation approach. J Gen Virol. 2017 Jul;98(7):1739-1743. doi: 10.1099/jgv.0.000862. Epub 2017 Jul 13. PubMed PMID: 28703698.

2: Ali A, Wahid B, Rafique S, Idrees M. Advances in research on Zika virus. Asian Pac J Trop Med. 2017 Apr;10(4):321-331. doi: 10.1016/j.apjtm.2017.03.020. Epub 2017 Apr 6. Review. PubMed PMID: 28552102.

3: Zhang HL, Ye HQ, Deng CL, Liu SQ, Shi PY, Qin CF, Yuan ZM, Zhang B. Generation and characterization of West Nile pseudo-infectious reporter virus for antiviral screening. Antiviral Res. 2017 May;141:38-47. doi: 10.1016/j.antiviral.2017.02.006. Epub 2017 Feb 13. PubMed PMID: 28202375.

4: Adcock RS, Chu YK, Golden JE, Chung DH. Evaluation of anti-Zika virus activities of broad-spectrum antivirals and NIH clinical collection compounds using a cell-based, high-throughput screen assay. Antiviral Res. 2017 Feb;138:47-56. doi: 10.1016/j.antiviral.2016.11.018. Epub 2016 Dec 3. PubMed PMID: 27919709.

5: Deng YQ, Zhang NN, Li CF, Tian M, Hao JN, Xie XP, Shi PY, Qin CF. Adenosine Analog NITD008 Is a Potent Inhibitor of Zika Virus. Open Forum Infect Dis. 2016 Aug 30;3(4):ofw175. eCollection 2016 Oct. PubMed PMID: 27747251; PubMed Central PMCID: PMC5063548.

6: Lo MK, Shi PY, Chen YL, Flint M, Spiropoulou CF. In vitro antiviral activity of adenosine analog NITD008 against tick-borne flaviviruses. Antiviral Res. 2016 Jun;130:46-9. doi: 10.1016/j.antiviral.2016.03.013. Epub 2016 Mar 23. PubMed PMID: 27016316; PubMed Central PMCID: PMC5096641.

7: Qing J, Luo R, Wang Y, Nong J, Wu M, Shao Y, Tang R, Yu X, Yin Z, Sun Y. Resistance analysis and characterization of NITD008 as an adenosine analog inhibitor against hepatitis C virus. Antiviral Res. 2016 Feb;126:43-54. doi: 10.1016/j.antiviral.2015.12.010. Epub 2015 Dec 24. PubMed PMID: 26724382.

8: Nelson J, Roe K, Orillo B, Shi PY, Verma S. Combined treatment of adenosine nucleoside inhibitor NITD008 and histone deacetylase inhibitor vorinostat represents an immunotherapy strategy to ameliorate West Nile virus infection. Antiviral Res. 2015 Oct;122:39-45. doi: 10.1016/j.antiviral.2015.07.008. Epub 2015 Jul 29. PubMed PMID: 26225754; PubMed Central PMCID: PMC4853296.

9: Deng C, Li X, Liu S, Xu L, Ye H, Qin CF, Zhang B. Development and characterization of a clinical strain of Coxsackievirus A16 and an eGFP infectious clone. Virol Sin. 2015 Aug;30(4):269-76. doi: 10.1007/s12250-015-3610-7. Epub 2015 Jul 24. PubMed PMID: 26220729.

10: Shang L, Wang Y, Qing J, Shu B, Cao L, Lou Z, Gong P, Sun Y, Yin Z. An adenosine nucleoside analogue NITD008 inhibits EV71 proliferation. Antiviral Res. 2014 Dec;112:47-58. doi: 10.1016/j.antiviral.2014.10.009. Epub 2014 Oct 23. PubMed PMID: 25446894.

11: Deng CL, Yeo H, Ye HQ, Liu SQ, Shang BD, Gong P, Alonso S, Shi PY, Zhang B. Inhibition of enterovirus 71 by adenosine analog NITD008. J Virol. 2014 Oct;88(20):11915-23. doi: 10.1128/JVI.01207-14. Epub 2014 Aug 6. PubMed PMID: 25100827; PubMed Central PMCID: PMC4178731.

12: Chen YL, Abdul Ghafar N, Karuna R, Fu Y, Lim SP, Schul W, Gu F, Herve M, Yokohama F, Wang G, Cerny D, Fink K, Blasco F, Shi PY. Activation of peripheral blood mononuclear cells by dengue virus infection depotentiates balapiravir. J Virol. 2014 Feb;88(3):1740-7. doi: 10.1128/JVI.02841-13. Epub 2013 Nov 20. PubMed PMID: 24257621; PubMed Central PMCID: PMC3911617.

13: Shan C, Li X, Deng C, Shang B, Xu L, Ye H, Yuan Z, Zhang B. Development and characterization of West Nile virus replicon expressing secreted Gaussia luciferase. Virol Sin. 2013 Jun;28(3):161-6. doi: 10.1007/s12250-013-3332-7. Epub 2013 May 25. PubMed PMID: 23709059.

14: Yin Z, Chen YL, Schul W, Wang QY, Gu F, Duraiswamy J, Kondreddi RR, Niyomrattanakit P, Lakshminarayana SB, Goh A, Xu HY, Liu W, Liu B, Lim JY, Ng CY, Qing M, Lim CC, Yip A, Wang G, Chan WL, Tan HP, Lin K, Zhang B, Zou G, Bernard KA, Garrett C, Beltz K, Dong M, Weaver M, He H, Pichota A, Dartois V, Keller TH, Shi PY. An adenosine nucleoside inhibitor of dengue virus. Proc Natl Acad Sci U S A. 2009 Dec 1;106(48):20435-9. doi: 10.1073/pnas.0907010106. Epub 2009 Nov 16. PubMed PMID: 19918064; PubMed Central PMCID: PMC2787148.

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