Aminopotentidine
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Basic information
- CAS
140873-26-3- Standard SMILES
N#CNC(=NCCCOc1cccc(CN2CCCCC2)c1)NCCNC(=O)c1ccc(N)cc1- InChIKey
CICDSYWWNDGAGD-UHFFFAOYSA-N- Molecular formula
- C26H35N7O2
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.28522338
Overview
Aminopotentidine is a benzamide obtained by formal condensation of the carboxy group of 4-aminobenzoic acid with the primary amino group of 1-(2-aminoethyl)-2-cyano-3-{3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}guanidine. It has a role as a H2-receptor antagonist. It is a nitrile, a member of benzamides, a member of guanidines, a member of piperidines, an aromatic ether and a substituted aniline.
Names & identifiers
- Preferred name
- Aminopotentidine
- IUPAC
- 4-amino-N-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]benzamide
- English name
- 4-AMINO-N-[2-[[(CYANOAMINO)[[3-[3-(1-PIPERIDINYLMETHYL)PHENOXY]PROPYL]IMINO]METHYL]AMINO]ETHYL]BENZAMIDE
- Molecular formula
- C26H35N7O2
- Molecular weight
- 477.6
Names & synonyms
AminopotentidineCHEBI:73303DTXSID302765394-amino-N-[2-(N''-cyano-N'-{3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}carbamimidamido)ethyl]benzamide4-amino-N-(2-(N''-cyano-N'-(3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)carbamimidamido)ethyl)benzamideRefChem:915700DTXCID60227812140873-27-4140873-26-34-amino-N-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]benzamide4-Amino-N-(2-(3-cyano-2-(3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)guanidino)ethyl)benzamideCHEMBL72844
Show more names
4-AMINO-N-[2-[[(CYANOAMINO)[[3-[3-(1-PIPERIDINYLMETHYL)PHENOXY]PROPYL]IMINO]METHYL]AMINO]ETHYL]BENZAMIDEBenzamide, 4-amino-N-[2-[[(cyanoamino)[[3-[3-(1-piperidinylmethyl)phenoxy]propyl]imino]methyl]amino]ethyl]-
orb1704693BDBM22887BDBM50406645EX-A14527AKOS024458617AKOS040745120MS-32765HY-101167
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 693
Physicochemical properties
- storage temp.
- 4 °C · Store at +4°C
- solubility
- 100 mM · Soluble to 100 mM in DMSO and to 100 mM in ethanol
- form
- Powder
Chemistry & industry
Applications
UsesAminopotentidine is a histamine H2 receptor antagonist with KB values of 220 nM and 280 nM for human and guinea pig H2 receptors, respectively. It can also serve as a precursor for the synthesis of [125I] iodo derivatives[1].
Additional notes
DefinitionChEBI: Aminopotentidine is a benzamide obtained by formal condensation of the carboxy group of 4-aminobenzoic acid with the primary amino group of 1-(2-aminoethyl)-2-cyano-3-{3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}guanidine. It has a role as a H2-receptor antagonist. It is a member of guanidines, a member of benzamides, a substituted aniline, a nitrile, an aromatic ether and a member of piperidines.
Related reactions
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Compound notes
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