Irsogladine

Isoladine · Irsogladin · IRSOGLADINE · Irosgladine · Dicloguamine · Irsogladine free base · Irsogladine USP/EP/BP · Irsogladine, 10 mM in DMSO

https://huagongshe.com/en/chemical/3752

Identifiers & Physical Properties

CAS No.	57381-26-7
Molecular formula	C9H7Cl2N5
Average molar mass	256.09 g/mol
Monoisotopic mass	255.00785058 g/mol
SMILES	Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1
InChIKey	ATCGGEJZONJOCL-UHFFFAOYSA-N
PubChem CID	3752
ChEMBL	CHEMBL136497
ChEBI	CHEBI:93307
DTXSID	DTXSID8043999

Chemical & Physical Properties

XLogP	2
Topological polar surface area	90.7
Hydrogen bond donors	2
Hydrogen bond acceptors	5
Rotatable bonds	1
Heavy atoms	16
Formal charge	0
Complexity	232
Drugs	Pharmaceuticals -> Listed in ZINC15
LogP (partition coefficient)	1.97
Melting point	268-269°C
Boiling point	552.2±60.0 °C(Predicted)
Density	1.572
Storage conditions	Keep in dark place,Inert atmosphere,Room temperature
Solubility	insoluble in H2Oinsoluble in EtOH≥12.80 mg/mL in DMSO
Physical state	solid
pKa (acidity coefficient)	3.88±0.10(Predicted)
Color	White to off-white
CAS DataBase Reference	57381-26-7(CAS DataBase Reference)
FDA UNII	QBX79NZC1D

Safety & Regulations

Drug Induced Liver Injury	Drug-Induced Liver Injury Severity and Toxicity (DILIst)IrsogladineDILI PositiveDOI:10.1016/j.drudis.2019.09.022

Applications & Uses

Uses

Irsogladine is a PDE4 inhibitor and muscarinic acetylcholine receptor binder. Target: PDE4; mACHR Irsogladine treatment (300 and 500 mg/kg/day) resulted in a dose-dependent reduction of angiogenesis in wild-type mice by 21 and 45.3% (P