VT-1598 | CAS#2089320-99-8 | Inhibitor

MedKoo Cat#: 208182 | Name: VT-1598

Description:

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

VT-1598 inhibits the in vitro growth of mucosal Candida strains and protects against fluconazole-susceptible and -resistant oral candidiasis in IL-17 signalling-deficient mice

Chemical Structure

VT-1598

CAS#2089320-99-8

Theoretical Analysis

MedKoo Cat#: 208182

Name: VT-1598

CAS#: 2089320-99-8

Chemical Formula: C31H20F4N6O2

Exact Mass: 584.1584

Molecular Weight: 584.53

Elemental Analysis: C, 63.70; H, 3.45; F, 13.00; N, 14.38; O, 5.47

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

VT1598, VT-15-98, VT1-598

IUPAC/Chemical Name

4-[[4-[2-[6-[(2R)-2-(2,4-Difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]pyridin-3-yl]ethynyl]phenoxy]methyl]benzonitrile

InChi Key

UDGASIIGNCBLSI-PMERELPUSA-N

InChi Code

InChI=1S/C31H20F4N6O2/c32-25-10-13-27(28(33)15-25)30(42,19-41-20-38-39-40-41)31(34,35)29-14-9-23(17-37-29)4-1-21-7-11-26(12-8-21)43-18-24-5-2-22(16-36)3-6-24/h2-3,5-15,17,20,42H,18-19H2/t30-/m0/s1

SMILES Code

N#CC1=CC=C(COC2=CC=C(C#CC3=CC=C(C(F)(F)[C@@](O)(C4=CC=C(F)C=C4F)CN5N=NN=C5)N=C3)C=C2)C=C1

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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 584.53 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

This message contains search results from the National Center for Biotechnology Information (NCBI) at the U.S. National Library of Medicine (NLM). Do not reply directly to this message Sent On: Tue Aug 02 09:31:42 2022 Search: VT-1598 10 selected items PubMed Results Items 1-10 of 10 (Display the 10 citations in PubMed) 1: Break TJ, Desai JV, Healey KR, Natarajan M, Ferre EMN, Henderson C, Zelazny A, Siebenlist U, Yates CM, Cohen OJ, Schotzinger RJ, Perlin DS, Garvey EP, Lionakis MS. VT-1598 inhibits the in vitro growth of mucosal Candida strains and protects against fluconazole-susceptible and -resistant oral candidiasis in IL-17 signalling-deficient mice. J Antimicrob Chemother. 2018 Aug 1;73(8):2089-2094. doi: 10.1093/jac/dky170. PMID: 29788070; PMCID: PMC6054247. 2: Wiederhold NP, Lockhart SR, Najvar LK, Berkow EL, Jaramillo R, Olivo M, Garvey EP, Yates CM, Schotzinger RJ, Catano G, Patterson TF. The Fungal Cyp51-Specific Inhibitor VT-1598 Demonstrates In Vitro and In Vivo Activity against Candida auris. Antimicrob Agents Chemother. 2019 Feb 26;63(3):e02233-18. doi: 10.1128/AAC.02233-18. PMID: 30530603; PMCID: PMC6395925. 3: Nishimoto AT, Wiederhold NP, Flowers SA, Zhang Q, Kelly SL, Morschhäuser J, Yates CM, Hoekstra WJ, Schotzinger RJ, Garvey EP, Rogers PD. In Vitro Activities of the Novel Investigational Tetrazoles VT-1161 and VT-1598 Compared to the Triazole Antifungals against Azole-Resistant Strains and Clinical Isolates of Candida albicans. Antimicrob Agents Chemother. 2019 May 24;63(6):e00341-19. doi: 10.1128/AAC.00341-19. PMID: 30910896; PMCID: PMC6535515. 4: Nishimoto AT, Whaley SG, Wiederhold NP, Zhang Q, Yates CM, Hoekstra WJ, Schotzinger RJ, Garvey EP, Rogers PD. Impact of the Major Candida glabrata Triazole Resistance Determinants on the Activity of the Novel Investigational Tetrazoles VT-1598 and VT-1161. Antimicrob Agents Chemother. 2019 Sep 23;63(10):e01304-19. doi: 10.1128/AAC.01304-19. PMID: 31383660; PMCID: PMC6761532. 5: Garvey EP, Sharp AD, Warn PA, Yates CM, Schotzinger RJ. The novel fungal CYP51 inhibitor VT-1598 is efficacious alone and in combination with liposomal amphotericin B in a murine model of cryptococcal meningitis. J Antimicrob Chemother. 2018 Oct 1;73(10):2815-2822. doi: 10.1093/jac/dky242. PMID: 29947783. 6: Garvey EP, Sharp AD, Warn PA, Yates CM, Atari M, Thomas S, Schotzinger RJ. The novel fungal CYP51 inhibitor VT-1598 displays classic dose-dependent antifungal activity in murine models of invasive aspergillosis. Med Mycol. 2020 Jun 1;58(4):505-513. doi: 10.1093/mmy/myz092. PMID: 32476008. 7: Wiederhold NP, Shubitz LF, Najvar LK, Jaramillo R, Olivo M, Catano G, Trinh HT, Yates CM, Schotzinger RJ, Garvey EP, Patterson TF. The Novel Fungal Cyp51 Inhibitor VT-1598 Is Efficacious in Experimental Models of Central Nervous System Coccidioidomycosis Caused by Coccidioides posadasii and Coccidioides immitis. Antimicrob Agents Chemother. 2018 Mar 27;62(4):e02258-17. doi: 10.1128/AAC.02258-17. PMID: 29437615; PMCID: PMC5913997. 8: Wiederhold NP, Patterson HP, Tran BH, Yates CM, Schotzinger RJ, Garvey EP. Fungal-specific Cyp51 inhibitor VT-1598 demonstrates in vitro activity against Candida and Cryptococcus species, endemic fungi, including Coccidioides species, Aspergillus species and Rhizopus arrhizus. J Antimicrob Chemother. 2018 Feb 1;73(2):404-408. doi: 10.1093/jac/dkx410. PMID: 29190379. 9: Osei Sekyere J. Candida auris: A systematic review and meta-analysis of current updates on an emerging multidrug-resistant pathogen. Microbiologyopen. 2018 Aug;7(4):e00578. doi: 10.1002/mbo3.578. Epub 2018 Jan 18. Erratum in: Microbiologyopen. 2019 Aug;8(8):e00901. PMID: 29345117; PMCID: PMC6079168. 10: Hargrove TY, Garvey EP, Hoekstra WJ, Yates CM, Wawrzak Z, Rachakonda G, Villalta F, Lepesheva GI. Crystal Structure of the New Investigational Drug Candidate VT-1598 in Complex with Aspergillus fumigatus Sterol 14α-Demethylase Provides Insights into Its Broad-Spectrum Antifungal Activity. Antimicrob Agents Chemother. 2017 Jun 27;61(7):e00570-17. doi: 10.1128/AAC.00570-17. PMID: 28461309; PMCID: PMC5487673.