C000000956 | BACE1 Inhibitor

MedKoo Cat#: 558690 | Name: C000000956

Description:

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

C000000956 is a naturally sourced small molecule inhibitor of BACE1.

Chemical Structure

C000000956

CAS#NONE

Theoretical Analysis

MedKoo Cat#: 558690

Name: C000000956

CAS#: NONE

Chemical Formula: C20H18N4

Exact Mass: 314.1531

Molecular Weight: 314.39

Elemental Analysis: C, 76.41; H, 5.77; N, 17.82

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

No Data

Synonym

C-000000956; C 000000956; C000000956

IUPAC/Chemical Name

N3-(3-(1H-Indol-6-yl)benzyl)pyridine-2,3-diamine

InChi Key

LPQUIIHPUGDHJK-UHFFFAOYSA-N

InChi Code

InChI=1S/C20H18N4/c21-20-18(5-2-9-23-20)24-13-14-3-1-4-16(11-14)17-7-6-15-8-10-22-19(15)12-17/h1-12,22,24H,13H2,(H2,21,23)

SMILES Code

NC1=NC=CC=C1NCC2=CC=CC(C3=CC4=C(C=C3)C=CN4)=C2

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

>3 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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 314.39 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: Joseph OA, Babatomiwa K, Niyi A, Olaposi O, Olumide I. Molecular Docking and 3D Qsar Studies of C000000956 as a Potent Inhibitor of Bace-1. Drug Res (Stuttg). 2019 Aug;69(8):451-457. doi: 10.1055/a-0849-9377. Epub 2019 Feb 19. PubMed PMID: 30780168.