Basic information
- CAS
84504-69-8- Standard SMILES
Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1.O=C(O)/C=C\C(=O)O- InChIKey
PJLVTVAIERNDEQ-BTJKTKAUSA-N- Molecular formula
- C13H11Cl2N5O4
- Average molar mass
- 372.16 g/mol
- Monoisotopic mass
- 371.0188092
Overview
Irsogladine maleate is a dichlorobenzene.
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, 6-(2,5-dichlorophenyl)-, (2Z)-2-butenedioate (1:1)
- IUPAC
- (Z)-but-2-enedioic acid;6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine
- English name
- Irsogladine maleate
- Molecular formula
- C13H11Cl2N5O4
- Molecular weight
- 372.16
Names & synonyms
irsogladine maleate84504-69-8GaslonMN-16952,4-Diamino-6-(2,5-dichlorophenyl)-s-triazine maleateDTXSID204023466GVU60EPQ1,3,5-Triazine-2,4-diamine, 6-(2,5-dichlorophenyl)-, (Z)-2-butenedioate (1:1)DTXCID00202341,3,5-Triazine-2,4-diamine, 6-(2,5-dichlorophenyl)-, (2Z)-2-butenedioate (1:1)RefChem:7914896-(2,5-Dichlorophenyl)-1,3,5-triazine-2,4-diamine monomaleate
Show more names
IrgasInomarlGasroilIrsogladin maleateMaleate irsogladineIrsogladineMaleate>
Irsogladine maleate [JAN]6-(2,5-DICHLOROPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE MALEATE57381-28-9MFCD00873566Irsogladine (maleate)C13H11Cl2N5O4Gaslon NDicloguamine maleate
Database identifiers
- CAS
84504-69-8
Properties
Computed structural properties
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Melting point
- 181 · 181-182°C
- storage temp.
- Inert atmosphere,Room Temperature
- Water Solubility
- Insoluble in water
- solubility
- 30 · DMF:30.0(Max Conc. mg/mL);80.61(Max Conc. mM)DMSO:30.0(Max Conc. mg/mL);80.61(Max Conc. mM)DMSO:PBS (pH 7.2) (1:3):0.25(Max Conc. mg/mL);0.67(Max Conc. mM)
- form
- White crystalline powder.
- color
- White to Almost white
- Merck
- 14 · 14,5102
- InChI
- InChI=1S/C9H7Cl2N5.C4H4O4/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7;5-3(6)1-2-4(7)8/h1-3H,(H4,12,13,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-
- InChIKey
- PJLVTVAIERNDEQ-BTJKTKAUSA-N
- SMILES
- N1=C(C2=CC(Cl)=CC=C2Cl)N=C(N)N=C1N.C(O)(=O)/C=C\C(O)=O
- CAS DataBase Reference
- 84504 · 84504-69-8(CAS DataBase Reference)
- FDA UNII
- 66 GVU60EPQ · 66GVU60EPQ
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesRepr. 2 (100%)
Safety data
- wgk
- WGK 3
- rtecs
- XY5930000
- hs_code
- 2933.69.6050
- Toxicity
- LD50 in male, female mice, rats (mg/kg): 6035, 5697, 3898, 2917 orally; 2841, 3216, 1600, 1524 s.c.; 775, 1006, 558, 545 i.p. (Ueda, 1984 p 474)
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H361
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
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
DescriptionIrsogladine is a gastroprotective agent. It increases transfer of Lucifer yellow CH between isolated rabbit gastric epithelial cells, indicating enhanced gap junction intercellular communication (GJIC). Irsogladine (3 mg/kg) inhibits gastric mucosal lesion formation and decreases in gastric mucosal blood flow induced by monochloramine in rats, effects that can be prevented by the nitric oxide synthase inhibitor L-NAME . It also inhibits superoxide anion production induced by fMLP and increases cAMP levels in isolated human neutrophils in a concentration-dependent manner, similar to the phosphodiesterase 4 (PDE4) inhibitor rolipram .
UsesAn anti-ulcer drug. Potent PDE4 inhibitor
Usesantiulcerative;selective PDE4 inhibitor which also enhances gap junction intercellular communication
Upstream & downstream products
Downstream products
Suppliers100 total
北京华美互利生物化工
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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