Compound: SERATRODAST
SMILES: O=C1C(=C(C(=O)C(=C1C)C)C)C(c2ccccc2)CCCCCC(=O)O
InChIKey: ZBVKEHDGYSLCCC-UHFFFAOYSA-N
Synonyms: SERATRODAST, 112665-43-7, Bronica, 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid, Abbott 73001, AA-2414, ABT-001, Abbott-73001, A-73001, NSC-759640, 4U58JM421N, Benzeneheptanoic acid, zeta-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-, (+-)-, 7-(3,5,6-trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid, seratrodastum, RefChem:884908, R03DX06, 692-169-8, 103185-78-0, (+-)-7-(3,5,6-Trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid, MFCD00875701, DTXSID4021397, (+/-)-7-(3,5,6-Trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic Acid, NCGC00181296-01, Seratrodast [USAN:INN], DTXCID201397, ABT 001, Bronica (TN), CCRIS 8939, CAS-112665-43-7, A 73001, UNII-4U58JM421N, Seratrodast (JAN/USAN/INN), (+/-)-2,4,5-Trimethyl-3,6-dioxo-zeta-phenyl-1,4-cyclohexadiene-1-heptanoic acid, 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)heptanoic acid, Seratrodast (Standard), SERATRODAST [MI], SERATRODAST [INN], SERATRODAST [JAN], SERATRODAST [USAN], (+-)-2,4,5-Trimethyl-3,6-dioxo-zeta-phenyl-1,4-cyclohexadiene-1-heptanoic acid, SERATRODAST [MART.], SCHEMBL98402, SERATRODAST [WHO-DD], MLS006012011, orb1310830, Seratrodast - Bio-X trade mark, CHEBI:32126, HY-B0774R, Seratrodast, >=98% (HPLC), ZBVKEHDGYSLCCC-UHFFFAOYSA-N, GLXC-05759, HMS3264K16, HMS3748I13, HMS5080C06, Pharmakon1600-01502336, HY-B0774, Tox21_112774, NSC759640, s2072, STL556121, AKOS015911825, Seratrodast(AA-2414, ABT-001), Tox21_112774_1, CCG-207903, DB06739, FS27814, NSC 759640, NCGC00181296-02, AS-12945, BS164397, SMR002530529, D01123, SBI-0636746.0001, AB01563274_01, L001973, SR-01000944172, Q7452735, SR-01000944172-1, BRD-A60765580-001-01-8, BRD-A60765580-001-02-6, 6-(6-Carboxy-1-phenylhexyl)-2,3,5-trimethylbenzoquinone, 7-(3,5,6-trimethyl-1,4-benzoquinone-2-yl)-7-phenylheptanoic acid, (+/-)-2,4,5-TRIMETHYL-3,6-DIOXO-.ZETA.-PHENYL-1,4-CYCLOHEXADIENE-1-HEPTANOIC ACID, Benzeneoctanoic acid,H-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-, 103186-19-2, BENZENEHEPTANOIC ACID, .ZETA.-(2,4,5-TRIMETHYL-3,6-DIOXO-1,4-CYCLOHEXADIEN-1-YL)-, (+/-)-
Theoretical properties:
molecular_formula: C22H26O4
molecular_weight: 354.4 g/mol
exact_mass: 354.18310931 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 8
heavy_atom_count: 26
topological_polar_surface_area: 71.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Seratrodast is an organic molecular entity.
chembl: SERATRODAST is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Seratrodast (development name, AA-2414; marketed originally as Bronica) is a thromboxane A2 (TXA2) receptor (TP receptor) antagonist used primarily in the treatment of asthma. It was the first TP receptor antagonist that was developed as an anti-asthmatic drug and received marketing approval in Japan in 1997. As of 2017 seratrodast was marketed as Bronica in Japan, and as Changnuo, Mai Xu Jia, Quan Kang Nuo in China.
Unlike thromboxane synthase inhibitors such as ozagrel, seratrodast does not affect thrombus formation, time to occlusion and bleeding time. Seratrodast has no effect on prothrombin time and activated partial thromboplastin time, thus ruling out any action on blood coagulation cascade.