VSN35111
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MedKoo CAT#: 555919

CAS#: 797035-11-1

Description: 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 not formal name. For the convenience of scientific communication, we named it by combining its Inchi key (3 letters from the first letter of each section) with the last 5 digits of its CAS number or its molecule weight if its CAS number is not available (see MedKoo Chemical Nomenclature, https://www.medkoo.com/page/naming).


Chemical Structure

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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: 578.728
Elemental Analysis: C, 64.34; H, 6.62; N, 9.68; O, 13.82; S, 5.54

Price and Availability

Size Price Availability Quantity
5.0mg USD 450.0 2 Weeks
10.0mg USD 750.0 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

Preparing Stock Solutions

The following data is based on the product molecular weight 578.728 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

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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).