Basic information
- CAS
32828-81-2- Standard SMILES
COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1- InChIKey
KYWCWBXGRWWINE-UHFFFAOYSA-N- Molecular formula
- C21H20N4O3
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.15354051
Overview
4-methoxy-N1,N3-bis(3-pyridinylmethyl)benzene-1,3-dicarboxamide is a member of benzamides.
Names & identifiers
- Preferred name
- Picotamide
- IUPAC
- 4-methoxy-1-N,3-N-bis(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
- English name
- Picotamide
- Molecular formula
- C21H20N4O3
- Molecular weight
- 376.41
Names & synonyms
picotamide32828-81-24-Methoxy-N,N'-bis(3-pyridinylmethyl)-1,3-benzenedicarboxamide4-methoxy-1-N,3-N-bis(pyridin-3-ylmethyl)benzene-1,3-dicarboxamideG-137NSC-304384654G2VCI4QDTXSID40186498RefChem:174171DTXCID501089894-methoxy-N1,N3-bis((pyridin-3-yl)methyl)benzene-1,3-dicarboxamide251-245-7
Show more names
g137Picotamide, 10 mM in DMSON,N’-Bis(3-Pyridinylmethyl)-4-Men,n’-bis(3-picolyl)-4-methoxyisophthalamide4-methoxy-n,n’-bis(3-pyridylmethyl)isophthalamide4-methoxy-n,n’-bis(3-pyridylmethyl)-isophthalamidIsophthalamide, 4-methoxy-N,N'-bis(3-pyridylmethyl)-
4-methoxy-N1,N3-bis(pyridin-3-ylmethyl)isophthalamide4-Methoxy-N,N'-bis(3-pyridylmethyl)isophthaldiamidePicotamide monohydrate CRSEINECS 251-245-7Picotamide [INN:BAN]BRN 0499268UNII-654G2VCI4QSR-01000076086
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 516
Experimental & physicochemical properties
LogP1.23
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 128 · 128-131℃
- Boiling point
- 668.1 · 668.1±55.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Soluble in DMSO (up to 40 mg/ml) or in Ethanol (up to 5 mg/ml with warming).
- pka
- 13.31 · 13.31±0.46(Predicted)
- form
- White solid.
- color
- White
- Stability
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 1 month.
- InChI
- 1S/C21H20N4O3/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)
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
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- rtecs
- CZ2235500
- Toxicity
- LD50 i.p. in male mice: 1205 mg/kg (Orzalesi, Selleri, 1976)
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H303
- Precautionary statements
- P270-P301+P312-P403-P501c
Chemistry & industry
Pharmacology
ATC Code
B - Blood and blood forming organs
QB - Blood and blood forming organs
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Applications
DescriptionPicotamide is an unique antithrombotic agent which acts by selectively inhibiting thromboxane synthesis and blocking platelet thromboxane receptors without affecting prostaglandin synthesis. It is reported to be useful in the treatment of myocardial infarction, cerebrovascular disorders, pulmonary embolism and atherosclerosis.
UsesPicotamide is a dual inhibitor of thromboxane A2 and thromboxane A2 synthase. It is used in aptamers for targeting coagulation factor XIII and there used for treatment of thrombosis.
UsesKeratolytic.
Suppliers32 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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