Basic information
- CAS
103379-03-9- Standard SMILES
O=C(CCCN1CCN(c2ccc(F)cc2)CC1)NC1c2ccccc2CSc2ccccc21.O=C(O)/C=C\C(=O)O- InChIKey
ZDZXCYHMVFLGMT-BTJKTKAUSA-N- Molecular formula
- C32H34FN3O5S
- Average molar mass
- 591.7 g/mol
- Monoisotopic mass
- 591.22032053
Overview
Monatepil maleate is a dibenzothiepine.
Names & identifiers
- Preferred name
- Monatepil Maleate
- IUPAC
- (Z)-but-2-enedioic acid;N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]butanamide
- English name
- monatepil
- Molecular formula
- C32H34FN3O5S
- Molecular weight
- 591.7
Names & synonyms
MONATEPIL MALEATE103379-03-9AJ-2615W456I35SKDAJ2615RefChem:926063132046-06-1Monatepil maleate [USAN]UNII-W456I35SKDMonatepil (maleate)(Z)-but-2-enedioic acid;N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]butanamide11-(4-(4-(4-Fluorophenyl)-1-piperazinyl)butyrylamino)-6,11-dihydrodibenzo(b,e)thiepin maleate
Show more names
1-Piperazinebutanamide, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-4-(4-fluorophenyl)-, (Z)-2-butenedioate (1:1)Monatepil maleate[mi]SCHEMBL120879MONATEPIL MALEATE [MI]Monatepil maleate (JAN/USAN)orb1701909orb2281199MONATEPIL MALEATE [JAN]
Database identifiers
- CAS
103379-03-9、132046-06-1- PubChem CID
- 5282401
- ChEMBL
CHEMBL1744305- ChEBI
CHEBI:31862- UNII
- W456I35SKD
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 769
Physicochemical properties
- Melting point
- 149 · 149-150°
- FDA UNII
- 456 I35SKD · W456I35SKD
- Toxicity
- 50 in · LD50 in mice (g/kg): >1 i.p.; >4 orally (Uno)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in mice (g/kg): >1 i.p.; >4 orally (Uno)
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Applications
UsesMonatepil maleate (AJ-2615) is a potent and orally active Ca2+-channel antagonist and a noncompetitive ACAT inhibitor. Monatepil maleate decreases blood pressure and improves plasma lipid metabolism. Monatepil maleate has the potential for the research of hyperlipidemia[1][2].
Suppliers5 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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