VSN35111 | CAS#797035-11-1 | BACE-1 Inhibitor

MedKoo Cat#: 555919 | Name: VSN35111

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Description:

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

VSN35111, also known as BACE-1 Inhibitor, β-Secretase Inhibitor IV, is an inhibitor of β-site amyloid protein cleaving enzymes (BACE/β-secretase) 1 and 2 (IC50s = 15 and 230 nM for human BACE1 and 2, respectively). This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

VSN35111

CAS#797035-11-1

Theoretical Analysis

MedKoo Cat#: 555919

Name: VSN35111

CAS#: 797035-11-1

Chemical Formula: C31H38N4O5S

Exact Mass: 578.2563

Molecular Weight: 578.73

Elemental Analysis: C, 64.34; H, 6.62; N, 9.68; O, 13.82; S, 5.54

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 450.00	2 Weeks
10mg	USD 750.00	2 Weeks

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Related CAS #

797035-11-1

Synonym

BACE-1 Inhibitor; β-Secretase Inhibitor IV; BACE IV; VSN35111; VSN-35111; VSN 35111; Axon 1125; Axon-1125; Axon1125;

IUPAC/Chemical Name

N1-[(1S,2R)-3-(cyclopropylamino)-2-hydroxy-1-(phenylmethyl)propyl]-5-[methyl(methylsulfonyl)amino]-N3-[(1R)-1-phenylethyl]-1,3-benzenedicarboxamide

InChi Key

VPNIQGRFZCTBEZ-SPTGULJVSA-N

InChi Code

InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1

SMILES Code

O=C(C1=CC(N(C)S(=O)(C)=O)=CC(C(N[C@@H](C2=CC=CC=C2)C)=O)=C1)N[C@@H](CC3=CC=CC=C3)[C@H](O)CNC4CC4

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

	Solvent	mg/mL	mM
Solubility
	To be determined	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 578.73 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. Stachel, S.J., Coburn, C.A., Steele, T.G., et al. Structure-based design of potent and selective cell-permeable inhibitors of human ß-secretase (BACE-1). Journal of Medicinal Chemistry 47(26), 6447-6450 (2004). 2. Czvitkovich, S., Duller, S., Mathiesen, E., et al. Comparison of pharmacological modulation of APP metabolism in primary chicken telencephalic neurons and in a human neuroglioma cell line. J. Mol. Neurosci. 43(3), 257-267 (2011).