ChemicalBook CAS DataBase List 145084-28-2

145084-28-2

Name	(R)-N-[2,3-DIHYDRO-1-[2-(2-METHYLPHENYL)-2-OXOETHYL]-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPIN-3-YL]-N'-(3-METHYLPHENYL)-UREA
CAS	145084-28-2
Molecular Formula	C32H28N4O3
MDL Number	MFCD00917023
Molecular Weight	516.59
MOL File	145084-28-2.mol

Chemical Properties

Melting point	187-190 °C
Boiling point	735.4±60.0 °C(Predicted)
density	1.23±0.1 g/cm3(Predicted)
storage temp.	Store at RT
solubility	DMSO: soluble5mg/mL (clear solution)
form	powder
pka	11.61±0.40(Predicted)
color	white to beige
Optical Rotation	[α]/D -128 to -140 (c = 1, DCM)
InChIKey	YCXFHPUBGMMWJQ-PMERELPUSA-N
SMILES	Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c4ccccc4N(CC(=O)c5ccccc5C)C2=O)c1

Safety Data

Hazard Codes	T
Risk Statements	25 less more
Safety Statements	45 less more
RIDADR	UN 2811 6.1 / PGIII
WGK Germany	3
Storage Class	6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
Hazard Classifications	Acute Tox. 3 Oral

Hazard Information

Uses

YM 022, is a potent, selective non-peptide antagonist of the gastrin/cholecystokinin (CCK)-B receptor. (Ki values are 68 pM and 63 nM at CCK2 and CCK1 receptors respectively).

Biological Activity

Extremely potent and highly selective non-peptide CCK 2 silent antagonist (K i values are 68 pM and 63 nM at CCK 2 and CCK 1 receptors respectively). Acts in vivo to potently inhibit gastrin-induced gastric acid secretion and histidine decarboxylase activation with a long duration of action.

in vivo

YM022 (intravenous injection; 0.01-1 μM/kg) dose-dependently inhibits pentagastrin- and peptone meal-induced acid secretion with ED₅₀ values of 0.0261 and 0.0654 μmol/kg, respectively, without affecting histamine- or methacholine-induced acid secretion^[3].
YM022 (subcutaneous injection; 300 μmol/kg; single dose) lowers the oxyntic mucosal HDC activity and raises the serum gastrin concentration in a dose-dependent manner (measured 24 h after dosage). Maximum enzyme inhibition is achieved at a dose of 300 μmol/kg for YM022 and the inhibition of HDC lasts for 4 weeks. At sacrifice, drug residues can be seen at the injection site for as long as 4 (YM022) weeks after injection in rat^[3].
YM022 is suspended in 2% Methocel for oral ingestion and in PEG300 for subcutaneous injection^[3].

Animal Model:	Rat^[3]
Dosage:	300 μmol/kg
Administration:	Subcutaneous injection; 300 μmol/kg; single dose
Result:	Suppressed the ECL cell activity for at least 4 as manifested in greatly reduced HDC activity, greatly elevated serum gastrin level.

IC 50

CCR2: 68 pM (Ki); CCR1: 63 nM (Ki)

storage

Store at RT

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