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 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

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VSN35111
CAS# 797035-11-1
Instruction

Theoretical Analysis

MedKoo Cat#: 555919
Name: VSN35111
CAS#: 797035-11-1
Chemical Formula: C31H38N4O5S
Exact Mass: 578.26
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
5mg USD 450 2 Weeks
10mg USD 750 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:

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
To be determined 0.0 100.00

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.

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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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).