 Home > Encyclopedia > DIBENZAZEPINE

DIBENZAZEPINE

DIBENZAZEPINE structure

CAS No:
209984-56-5
Formula:
C26H23F2N3O3
Chemical Name:
DIBENZAZEPINE
Synonyms:
DIBENZAZEPINE;N-[(1S)-2-[[(7S)-6,7-Dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl]amino]-1-methyl-2-oxoethyl]-3,5-difluorobenzeneacetamide;Dibenzazepine (Deshydroxy LY 411575);γ-Secretase Inhibitor XX;YO-01027/Dibenzazepine/LY 411575;(2S)-2-[2-(3,5-Difluorophenyl)acetaMide]-N-[(7S)-5-Methyl-6-oxo-6,7-dihydro-5H-dibenzo[B,D]azepin-7-;(S)-2-(2-(3,5-Difluorophenyl)acetamido)-N-((S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7;YO-01027 (Dibenzazepine)
Categories:
Biochemical Engineering > Inhibitors

Description

YO-01027 (Dibenzazepine;DBZ) is a potent γ-secretase inhibitor with IC50 values of 2.92±0.22 and 2.64±0.30 nM for Notch and APPL cleavage, respectively.

DIBENZAZEPINE Basic Attributes

Molecular Weight：

463.49

Exact Mass：

463.170746

HScode：

29337900

Characteristics

PSA：

78.5

XLogP3：

3.6

Appearance：

white to beige

Density：

1.4±0.1 g/cm3

Melting Point：

257-259°C

Boiling Point：

801.334°C at 760 mmHg

Flash Point：

438.4±34.3 °C

Refractive Index：

1.637

Water Solubility：

DMSO: soluble15mg/mL, clear

Storage Conditions：

-20°C Freezer

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

DIBENZAZEPINE Use and Manufacturing

γ-Secretase is a multi-subunit aspartyl protease that cleaves amyloid precursor protein (APP) and many other type 1 transmembrane proteins, including Notch, E-cadherin, and ErbB4. The proteolysis of APP by secretases produces beta amyloid (Aβ), a 39- to 42-amino acid peptide which forms the amyloid plaques that are characteristic of Alzheimer’s disease. DBZ is a dipeptidic inhibitor of γ-secretase that potently blocks the cleavage of Notch into its active signaling effector, Notch intracellular domain, in human T cell lymphoma (SupT1) cells (IC50 = 1.7 nM). Within 4 hours after a single 100 μM/kg dose, DBZ demonstrates anti-Alzheimer activity in an APP transgenic mouse model characterized by high levels of Aβ40 by reducing Aβ40 levels by 71%.

Computed Properties

Molecular Weight:463.5
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:463.17074793
Monoisotopic Mass:463.17074793
Topological Polar Surface Area:78.5
Heavy Atom Count:34
Complexity:756
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes