Compound: Colforsin daropate
SMILES: O=C1[C@@]2(O)[C@](O[C@](C1)(C=C)C)([C@@H](OC(=O)C)[C@@H](OC(=O)CCN(C)C)[C@@H]3[C@@]2([C@@H](O)CCC3(C)C)C)C
InChIKey: RSOZZQTUMVBTMR-XGUNBQNXSA-N
Synonyms: Colforsin daropate, 113462-26-3, 1196KQZ976, CHEBI:166826, DTXSID20150415, beta-Alanine, N,N-dimethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho(2,1-b)pyran-6-yl ester, RefChem:926491, DTXCID8072906, N,N-Dimethyl-beta-alanine (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho(2,1-b)pyran-6-yl ester, UNII-1196KQZ976, colforsin dapropate, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-naphtho[2,1-b]pyran-6-yl N,N-dimethyl-beta-alaninate, 6-(3-dimethylaminopropionyl)forskolin, colforsin-daproate, [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-(dimethylamino)propanoate, SCHEMBL219972, CHEMBL4303178, NCGC00025227-02, NCGC00025227-03, BRD-K19388745-003-01-7, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-6-yl N,N-dimethyl-beta-alaninate, .BETA.-ALANINE, N,N-DIMETHYL-, (3R,4AR,5S,6S,6AS,10S,10AR,10BS)-5-(ACETYLOXY)-3-ETHENYLDODECAHYDRO-10,10B-DIHYDROXY-3,4A,7,7,10A-PENTAMETHYL-1-OXO-1H-NAPHTHO(2,1-B)PYRAN-6-YL ESTER, N,N-dimethyl-beta-alanine (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10-10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester
Theoretical properties:
molecular_formula: C27H43NO8
molecular_weight: 509.6 g/mol
exact_mass: 509.29886733 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 9
rotatable_bond_count: 8
heavy_atom_count: 36
topological_polar_surface_area: 123 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Colforsin daropate is a carboxylic ester resuting from the formal condensation of the carboxy group of N,N-dimethyl-beta-alanine with the 6-hydroxy group of forskolin. It is an adenylate cyclase activator. It has a role as a vasodilator agent, an antihypertensive agent, a cardiotonic drug and an adenylate cyclase agonist. It is a diol, an organic heterotricyclic compound, a carboxylic ester, a cyclic ketone, an acetate ester and a tertiary amino compound. It is functionally related to a forskolin. It is a conjugate base of a colforsin daropate(1+).
chebi: A carboxylic ester resuting from the formal condensation of the carboxy group of <em>N</em>,<em>N</em>-dimethyl-β-alanine with the 6-hydroxy group of forskolin. It is an adenylate cyclase activator.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Colforsin daropate is a cardiovascular drug used to treat acute heart failure.  Chemically, it is a carboxylic ester derived from the condensation of forskolin (colforsin) with N,N-dimethyl-β-alanine.
Its water-soluble hydrochloride salt (NKH 477) is an adenylyl cyclase activator which has been studied for its cardiac selectivity.
Colforsin daropate has been studied for its potential to be repurposed for the treatment of some types of cancer.