Irsogladine

HCID 3752CAS 57381-26-7
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Basic information

Standard SMILES
Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1
InChIKey
ATCGGEJZONJOCL-UHFFFAOYSA-N
Molecular formula
C9H7Cl2N5
Average molar mass
256.09 g/mol
Monoisotopic mass
255.00785058

Overview

6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine is a dichlorobenzene.

Names & identifiers

Preferred name
Irsogladine
IUPAC
6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine
English name
Irsogladine
Molecular formula
C9H7Cl2N5
Molecular weight
256.09

Names & synonyms

Irsogladine57381-26-76-(2,5-Dichlorophenyl)-1,3,5-triazine-2,4-diamineIrsogladinaIrsogladinumDCPDATQBX79NZC1DNSC-759836DTXSID80439996-(2,5-dichlorophenyl)-2,4-diamino-1,3,5-triazineRefChem:148867DTXCID6023999
Show more names
IsoladineIrsogladinIrosgladineIrsogladine free baseIrsogladine USP/EP/BPIrsogladine, 10 mM in DMSO2',5'-Dichlorobenzoguanamine5-triazine-2,4-diamine,6-(2,5-dichlorophenyl)-3
dicloguamineIrsogladine [INN]1,3,5-Triazine-2,4-diamine, 6-(2,5-dichlorophenyl)-2,4-Diamino-6-(2,5-dichlorophenyl)-1,3,5-triazine2,4-Diamino-6-(2,5-dichlorophenyl)-s-triazineMFCD00866871Irsogladine, Irsogladine maleateIrsogladine (INN)

Database identifiers

CAS
57381-26-7
PubChem CID
3752
DTXSID
DTXSID8043999
ChEMBL
CHEMBL136497
ChEBI
CHEBI:93307
UNII
QBX79NZC1D
Nikkaji
J211.549B

Properties

Computed structural properties

XLogP
2
Topological polar surface area
90.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
16

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15
LogP1.97

Physicochemical properties

Melting point
268 · 268-269°C
Boiling point
552.2 · 552.2±60.0 °C(Predicted)
Density
1.572 · 1.572
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
2 O; · insoluble in H2O; insoluble in EtOH; ≥12.80 mg/mL in DMSO
form
solid

Safety & regulation

Toxicology

Drug Induced Liver Injury · 4 items

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Irsogladine

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

Chemistry & industry

Pharmacology

ATC Code · 2 items

A - Alimentary tract and metabolism

QA - Alimentary tract and metabolism

MeSH Pharmacological Classification · 4 items

Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.

Substances that inhibit or prevent the proliferation of NEOPLASMS.

Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military.

Agents that reduce the frequency or rate of spontaneous or induced tumors independently of the mechanism involved.

Applications

UsesIrsogladine 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

Upstream & downstream products

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

Additional notes

DefinitionChEBI: 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine is a dichlorobenzene.

Related reactions

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