Chemistry:PHA-57378

PHA-57378
Identifiers
	IUPAC name 2,7,8,9,10,11-hexahydro-1H-azepino[4,5-b][1,4]oxazino[2,3,4-hi]indole;
CAS Number	303798-94-9 ;
PubChem CID	10198481;
ChemSpider	8373981;
Chemical and physical data
Formula	C14H16N2O
Molar mass	228.295 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C1(OCC2)=C(N2C3=C4CCNCC3)C4=CC=C1;
	InChI InChI=1S/C14H16N2O/c1-2-11-10-4-6-15-7-5-12(10)16-8-9-17-13(3-1)14(11)16/h1-3,15H,4-9H2; Key:KMVAXNRPZRSLSY-UHFFFAOYSA-N;

Short description: Chemical compound

PHA-57378 is a drug which acts as an agonist at serotonin 5-HT₂ receptors,^[1] having a binding affinity of 4.1 nM at the 5-HT_2A subtype and 4.3 nM at 5-HT_2C. It has anxiolytic effects in animal studies.^[2]

References

↑ Hester JB, Rogers BN, Jacobsen EJ, Ennis MD, Acker BA, Van der Velde SL, Frank KE, "Tetracyclic Azepinoindole Compounds as 5-HT Receptor Ligands", WO patent application 2000064899, published 2 November 2000, assigned to Pharmacia Upjohn Company
↑ "2,3,4,5-tetrahydro- and 2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indoles: new templates for 5-HT(2C) agonists". Bioorganic & Medicinal Chemistry Letters 13 (14): 2369–72. July 2003. doi:10.1016/S0960-894X(03)00403-7. PMID 12824036.

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[1] Hester JB, Rogers BN, Jacobsen EJ, Ennis MD, Acker BA, Van der Velde SL, Frank KE, "Tetracyclic Azepinoindole Compounds as 5-HT Receptor Ligands", WO patent application 2000064899, published 2 November 2000, assigned to Pharmacia Upjohn Company

[2] "2,3,4,5-tetrahydro- and 2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indoles: new templates for 5-HT(2C) agonists". Bioorganic & Medicinal Chemistry Letters 13 (14): 2369–72. July 2003. doi:10.1016/S0960-894X(03)00403-7. PMID 12824036.

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Identifiers

IUPAC name 2,7,8,9,10,11-hexahydro-1H-azepino[4,5-b][1,4]oxazino[2,3,4-hi]indole
CAS Number	303798-94-9^Y
PubChem CID	10198481
ChemSpider	8373981
Chemical and physical data
Formula	C₁₄H₁₆N₂O
Molar mass	228.295 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C1(OCC2)=C(N2C3=C4CCNCC3)C4=CC=C1
InChI InChI=1S/C14H16N2O/c1-2-11-10-4-6-15-7-5-12(10)16-8-9-17-13(3-1)14(11)16/h1-3,15H,4-9H2 Key:KMVAXNRPZRSLSY-UHFFFAOYSA-N

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Chemistry:PHA-57378

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