INDOPY-1 | CAS#352548-47-1

MedKoo Cat#: 555676 | Name: INDOPY-1

Description:

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

INDOPY-1 is a Nucleotide-Competing Reverse Transcriptase Inhibitor. INDOPY-1 was the first NcRTI discovered, displaying reversible competitive inhibition of dNTP binding. 3,4 Biochemical studies showed that INDOPY-1 arrests RT/DNA in a post-translocated (P site) complex.

Chemical Structure

INDOPY-1

CAS#352548-47-1

Theoretical Analysis

MedKoo Cat#: 555676

Name: INDOPY-1

CAS#: 352548-47-1

Chemical Formula: C19H12N4O3

Exact Mass: 344.0909

Molecular Weight: 344.33

Elemental Analysis: C, 66.28; H, 3.51; N, 16.27; O, 13.94

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 #

No Data

Synonym

INDOPY-1; INDOPY1; INDOPY 1; VRX-413638; VRX 413638; VRX413638;

IUPAC/Chemical Name

5-methyl-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile

InChi Key

TZEXGCXFOXXFKH-UHFFFAOYSA-N

InChi Code

InChI=1S/C19H12N4O3/c1-21-16-5-3-2-4-15(16)18-17(21)10-12(11-20)19(24)22(18)13-6-8-14(9-7-13)23(25)26/h2-10H,1H3

SMILES Code

N#CC(C(N1C2=CC=C([N+]([O-])=O)C=C2)=O)=CC(N3C)=C1C4=C3C=CC=C4

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 344.33 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: Ruiz FX, Hoang A, Das K, Arnold E. Structural Basis of HIV-1 Inhibition by the Nucleotide-Competing Reverse Transcriptase Inhibitor INDOPY-1. J Med Chem. 2019 Oct 11. doi: 10.1021/acs.jmedchem.9b01289. [Epub ahead of print] PubMed PMID: 31603676. 2: La J, Latham CF, Tinetti RN, Johnson A, Tyssen D, Huber KD, Sluis-Cremer N, Simpson JS, Headey SJ, Chalmers DK, Tachedjian G. Identification of mechanistically distinct inhibitors of HIV-1 reverse transcriptase through fragment screening. Proc Natl Acad Sci U S A. 2015 Jun 2;112(22):6979-84. doi: 10.1073/pnas.1423900112. Epub 2015 May 18. PubMed PMID: 26038551; PubMed Central PMCID: PMC4460473. 3: Bellucci L, Angeli L, Tafi A, Radi M, Botta M. Unconventional plasticity of HIV-1 reverse transcriptase: how inhibitors could open a connection "gate" between allosteric and catalytic sites. J Chem Inf Model. 2013 Dec 23;53(12):3117-22. doi: 10.1021/ci400414s. Epub 2013 Nov 25. PubMed PMID: 24256065. 4: Ehteshami M, Nijhuis M, Bernatchez JA, Ablenas CJ, McCormick S, de Jong D, Jochmans D, Götte M. Formation of a quaternary complex of HIV-1 reverse transcriptase with a nucleotide-competing inhibitor and its ATP enhancer. J Biol Chem. 2013 Jun 14;288(24):17336-46. doi: 10.1074/jbc.M112.433441. Epub 2013 Apr 18. PubMed PMID: 23598281; PubMed Central PMCID: PMC3682535. 5: Auger A, Beilhartz GL, Zhu S, Cauchon E, Falgueyret JP, Grobler JA, Ehteshami M, Götte M, Melnyk RA. Impact of primer-induced conformational dynamics of HIV-1 reverse transcriptase on polymerase translocation and inhibition. J Biol Chem. 2011 Aug 26;286(34):29575-83. doi: 10.1074/jbc.M111.268235. Epub 2011 Jul 7. PubMed PMID: 21737446; PubMed Central PMCID: PMC3190998. 6: Freisz S, Bec G, Radi M, Wolff P, Crespan E, Angeli L, Dumas P, Maga G, Botta M, Ennifar E. Crystal structure of HIV-1 reverse transcriptase bound to a non-nucleoside inhibitor with a novel mechanism of action. Angew Chem Int Ed Engl. 2010 Mar 1;49(10):1805-8. doi: 10.1002/anie.200905651. PubMed PMID: 20135654. 7: Ehteshami M, Scarth BJ, Tchesnokov EP, Dash C, Le Grice SF, Hallenberger S, Jochmans D, Götte M. Mutations M184V and Y115F in HIV-1 reverse transcriptase discriminate against "nucleotide-competing reverse transcriptase inhibitors". J Biol Chem. 2008 Oct 31;283(44):29904-11. doi: 10.1074/jbc.M804882200. Epub 2008 Aug 25. PubMed PMID: 18728003; PubMed Central PMCID: PMC2573056. 8: Jochmans D, Deval J, Kesteleyn B, Van Marck H, Bettens E, De Baere I, Dehertogh P, Ivens T, Van Ginderen M, Van Schoubroeck B, Ehteshami M, Wigerinck P, Götte M, Hertogs K. Indolopyridones inhibit human immunodeficiency virus reverse transcriptase with a novel mechanism of action. J Virol. 2006 Dec;80(24):12283-92. Epub 2006 Oct 4. PubMed PMID: 17020946; PubMed Central PMCID: PMC1676280.