VBIT-4 | CAS#2086257-77-2 | VDAC1 Inhibitor

MedKoo Cat#: 561045 | Name: VBIT-4

Description:

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

This product was discontinued for commercial reason.

Chemical Structure

VBIT-4

CAS#2086257-77-2 (racemate)

Theoretical Analysis

MedKoo Cat#: 561045

Name: VBIT-4

CAS#: 2086257-77-2 (racemate)

Chemical Formula: C21H23ClF3N3O3

Exact Mass: 457.1380

Molecular Weight: 457.88

Elemental Analysis: C, 55.09; H, 5.06; Cl, 7.74; F, 12.45; N, 9.18; O, 10.48

Price and Availability

This product was removed for the commercial reasons.

Related CAS #

2086257-77-2 (racemate) 2086268-69-9 (R-isoemr) 2086269-51-2 (S-isomer)

Synonym

VBIT-4; VBIT 4; VBIT4

IUPAC/Chemical Name

N-(4-chlorophenyl)-4-hydroxy-3-(4-(4-(trifluoromethoxy)phenyl)piperazin-1-yl)butanamide

InChi Key

QYSQXVAEFPWMEM-UHFFFAOYSA-N

InChi Code

InChI=1S/C21H23ClF3N3O3/c22-15-1-3-16(4-2-15)26-20(30)13-18(14-29)28-11-9-27(10-12-28)17-5-7-19(8-6-17)31-21(23,24)25/h1-8,18,29H,9-14H2,(H,26,30)

SMILES Code

OCC(N1CCN(C2=CC=C(OC(F)(F)F)C=C2)CC1)CC(NC3=CC=C(Cl)C=C3)=O

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

Certificate of Analysis

View CoA: current batch, Lot#A9O09B10

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

	Solvent	mg/mL	mM
Solubility
	Soluble in DMSO	0.0	100.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 457.88 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: Ben-Hail D, Begas-Shvartz R, Shalev M, Shteinfer-Kuzmine A, Gruzman A, Reina S, De Pinto V, Shoshan-Barmatz V. Novel Compounds Targeting the Mitochondrial Protein VDAC1 Inhibit Apoptosis and Protect against Mitochondrial Dysfunction. J Biol Chem. 2016 Nov 25;291(48):24986-25003. Epub 2016 Oct 13. PubMed PMID: 27738100; PubMed Central PMCID: PMC5122769.