SCHEMBL19305555
General
Type : Trifluoro
Chemical_Nomenclature : (2S,3R)-8,9-dimethoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
Canonical SMILES : COC1=C(C=C2C3=C(C=CC2=C1)OC(C(C3)N)C4=CC(=C(C=C4F)F)F)OC
InChI : InChI=1S\/C21H18F3NO3\/c1-26-19-5-10-3-4-18-12(11(10)8-20(19)27-2)7-17(25)21(28-18)13-6-15(23)16(24)9-14(13)22\/h3-6,8-9,17,21H,7,25H2,1-2H3\/t17-,21+\/m0\/s1
InChIKey : NXPAPTOHRVIGJL-LAUBAEHRSA-N
Other name(s) : (2~{s},3~{r})-8,9-Dimethoxy-3-[2,4,5-Tris(Fluoranyl)phenyl]-2,3-Dihydro-1~{h}-Benzo[f]chromen-2-Amine,HL1,22a
MW : 389.37
Formula : C21H18F3NO3
CAS_number :
PubChem : 126456388
UniChem : NXPAPTOHRVIGJL-LAUBAEHRSA-N
IUPHAR :
Wikipedia :
Target
Families : SCHEMBL19305555 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 5J3J Crystal Structure of human DPP-IV in complex with HL1
Protein : human-DPP4
References (2)
| Title : Discovery and Rational Design of Natural-Product-Derived 2-Phenyl-3,4-dihydro-2H-benzo[f]chromen-3-amine Analogs as Novel and Potent Dipeptidyl Peptidase 4 (DPP-4) Inhibitors for the Treatment of Type 2 Diabetes - Li_2016_J.Med.Chem_59_6772 |
| Author(s) : Li S , Xu H , Cui S , Wu F , Zhang Y , Su M , Gong Y , Qiu S , Jiao Q , Qin C , Shan J , Zhang M , Wang J , Yin Q , Xu M , Liu X , Wang R , Zhu L , Li J , Xu Y , Jiang H , Zhao Z , Li H |
| Ref : Journal of Medicinal Chemistry , 59 :6772 , 2016 |
| Abstract : Li_2016_J.Med.Chem_59_6772 |
| ESTHER : Li_2016_J.Med.Chem_59_6772 |
| PubMedSearch : Li_2016_J.Med.Chem_59_6772 |
| PubMedID: 27396490 |
| Gene_locus related to this paper: human-DPP4 |
| Title : Development of Multifunctional Pyrimidinylthiourea Derivatives as Potential Anti-Alzheimer Agents - Li_2016_J.Med.Chem_59_8326 |
| Author(s) : Li X , Wang H , Lu Z , Zheng X , Ni W , Zhu J , Fu Y , Lian F , Zhang N , Li J , Zhang H , Mao F |
| Ref : Journal of Medicinal Chemistry , 59 :8326 , 2016 |
| Abstract : Li_2016_J.Med.Chem_59_8326 |
| ESTHER : Li_2016_J.Med.Chem_59_8326 |
| PubMedSearch : Li_2016_J.Med.Chem_59_8326 |
| PubMedID: 27552582 |