VCC234718

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

Hodoodo CAT#: H555200

CAS#: 1278553-16-4

Description: VCC234718 is a IMPDH inhibitor.VCC234718 showed growth inhibitory activity against Mycobacterium tuberculosis (Mtb). VCC234718 was identified by phenotypic screening of a 15344-compound library. VCC234718 inhibits Mtb GuaB2 with a Ki of 100 nM and is uncompetitive with respect to IMP and NAD+. VCC234718 inhibits Mtb GuaB2 with a Ki of 100 nM and is uncompetitive with respect to IMP and NAD+.

Chemical Structure

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VCC234718
CAS# 1278553-16-4
Instruction

Theoretical Analysis

Hodoodo Cat#: H555200
Name: VCC234718
CAS#: 1278553-16-4
Chemical Formula: C20H25N3O3S
Exact Mass: 387.16
Molecular Weight: 387.498
Elemental Analysis: C, 61.99; H, 6.50; N, 10.84; O, 12.39; S, 8.27

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @hodoodo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: VCC234718; VCC-234718; VCC 234718.

IUPAC/Chemical Name: Cyclohexyl[4-(5-isoquinolinylsulfonyl)-1-piperazinyl]methanone

InChi Key: RQGSIJUNMAAIRB-UHFFFAOYSA-N

InChi Code: InChI=1S/C20H25N3O3S/c24-20(16-5-2-1-3-6-16)22-11-13-23(14-12-22)27(25,26)19-8-4-7-17-15-21-10-9-18(17)19/h4,7-10,15-16H,1-3,5-6,11-14H2

SMILES Code: O=C(C1CCCCC1)N2CCN(S(=O)(C3=CC=CC4=C3C=CN=C4)=O)CC2

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: This compound binds at the NAD+ site, after IMP has bound, and makes direct interactions with IMP; therefore, the inhibitor is by definition uncompetitive. VCC234718 forms strong pi interactions with the Y487 residue side chain from the adjacent protomer in the tetramer, explaining the resistance-conferring mutation. In addition to sensitizing Mtb to VCC234718, depletion of GuaB2 was bactericidal in Mtb in vitro and in macrophages. When supplied at a high concentration (≥125 μM), guanine alleviated the toxicity of VCC234718 treatment or GuaB2 depletion via purine salvage. However, transcriptional silencing of guaB2 prevented Mtb from establishing an infection in mice, confirming that Mtb has limited access to guanine in this animal model. Together, these data provide compelling validation of GuaB2 as a new tuberculosis drug target.

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 387.50 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.

Recalculate based on batch purity %
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:
In vitro protocol:
In vivo protocol:

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Covalent, Broad-Spectrum Serine β-Lactamase Inhibition by the
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Mondésert G, Vocat A, Lupien A, Sommer R, Vermet H, Lagrange S, Buechler J,
Warner DF, McKinney JD, Pato J, Cole ST, Blundell TL, Rizzi M, Mizrahi V. The
Inosine Monophosphate Dehydrogenase, GuaB2, Is a Vulnerable New Bactericidal Drug
Target for Tuberculosis. ACS Infect Dis. 2017 Jan 13;3(1):5-17. doi:
10.1021/acsinfecdis.6b00102. Epub 2016 Sep 8. PubMed PMID: 27726334; PubMed
Central PMCID: PMC5241705.