ChemicalBook CAS DataBase List 1190389-15-1

1190389-15-1

Name	MB-07133
CAS	1190389-15-1
Molecular Formula	C26H28N4O3
MDL Number	MFCD28502057
Molecular Weight	444.53
MOL File	1190389-15-1.mol

Chemical Properties

density	1.36±0.1 g/cm3(Predicted)
storage temp.	4°C, away from moisture and light
form	Solid
pka	13.55±0.70(Predicted)
color	White to off-white
InChIKey	DJXRIQMCROIRCZ-XOEOCAAJSA-N
SMILES	C12CC[C@@H](C(NC3=CC=C(C[C@@H]4CC[C@H]([C@H](O)C5=CC=CC=C5)N4)C=C3)=O)N1C(=O)C=CN=2

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302-H315-H319-H335
Precautionary statements	P261-P305+P351+P338

Hazard Information

Uses

Vibegron is a potent and selective β3 Adrenergic receptor agonist for the treatment of overactive bladder.

Definition

ChEBI: Vibegron is a pyrrolopyrimidine obtained by formal condensation of the carboxy group of (6S)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid with the amino group of (R)-[(2R,5S)-5-(4-aminobenzyl)pyrrolidin-2-yl](phenyl)methanol. It is a beta3-adrenergic receptor agonist currently in clinical development for the treatment of patients with overactive bladder. It has a role as a beta-adrenergic agonist. It is a secondary alcohol, a member of pyrrolidines, a member of benzenes, a secondary carboxamide, a pyrrolopyrimidine and a secondary amine.

in vivo

Vibegron (1~12 μΜ; i.v.) exhibits dose dependent decreases in micturition pressure and increases in functional bladder capacity^[3].
Vibegron (30 mg/kg; p.o.; 4 weeks) upregulates mRNA levels of type 1, type 3 collagen, TGF‐β1, and HIF‐1α^[4].
Vibegron (1 and 10 mg/kg; i.v.; interval 30 minutes) (10 mg/kg) in oxo-M-treated rats makes bladder capacity significantly decreased compared with oxo-M-not treated rats (intravesical instillation of vehicle)^[5].

Animal Model:	Rat
Dosage:	1~12 μΜ
Administration:	I.v.
Result:	Exhibited dose dependent decreases in micturition pressure and increases in functional bladder capacity.

Animal Model:	Female C57BL/6N mice (9 weeks old)
Dosage:	30 mg/kg
Administration:	P.o.; 4 weeks
Result:	Upregulated mRNA levels of type 1, type 3 collagen, TGF‐β1, and HIF‐1α at 4 weeks.

Animal Model:	Female F344 rats (120–160 g)
Dosage:	1 and 10 mg/kg
Administration:	I.v.; Interval 30 minutes
Result:	Vibegron (10 mg/kg) in oxo-M-treated rats made bladder capacity significantly decreased compared with oxo-M-not treated rats (intravesical instillation of vehicle).

IC 50

β adrenergic receptor; β3 adrenoceptor: 1.1 nM (EC₅₀)

storage

4°C, away from moisture and light

Supplier

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