Chemistry:PNU-181731

PNU-181731
Identifiers
	IUPAC name 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole;
CAS Number	364344-56-9 ;
PubChem CID	9794092;
ChemSpider	7969859;
UNII	UVL6VJD7YC;
Chemical and physical data
Formula	C12H14N2
Molar mass	186.258 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C12=CC=CC=C1N3C(CCNCC3)=C2;
	InChI InChI=1S/C12H14N2/c1-2-4-12-10(3-1)9-11-5-6-13-7-8-14(11)12/h1-4,9,13H,5-8H2; Key:XORPZYQOYUSNCQ-UHFFFAOYSA-N;

Short description: Chemical compound

PNU-181731 is a drug which acts as an agonist at serotonin 5-HT₂ receptors,^[1]^[2] with strongest binding affinity for the 5-HT_2C subtype at 4.8nM, and weaker 5-HT_2A affinity of 18nM. It has anxiolytic effects in animal studies with around one tenth the potency of alprazolam and no significant ataxia or other side effects noted.^[3]

References

↑ Ennis ME, et al., "2,3,4,5-Tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds.", US patent 6734301, published May 11, 2004, assigned to Pharmacia and Upjohn Co Inc
↑ Shirai J, et al., "Fused heterocyclic compound and use thereof.", US patent 8158617, published April 17, 2012, assigned to Takeda Pharmaceutical Co Ltd
↑ "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.

0.00

(0 votes)

Original source: https://en.wikipedia.org/wiki/PNU-181731. Read more

[1] Ennis ME, et al., "2,3,4,5-Tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds.", US patent 6734301, published May 11, 2004, assigned to Pharmacia and Upjohn Co Inc

[2] Shirai J, et al., "Fused heterocyclic compound and use thereof.", US patent 8158617, published April 17, 2012, assigned to Takeda Pharmaceutical Co Ltd

[3] "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.

[1]

[2]

[3]

Anonymous

Search

Chemistry:PNU-181731

Namespaces

More

Page actions

See also

References

Navigation

Navigation

Help

Translate

Wiki tools

Wiki tools

Identifiers

IUPAC name 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole
CAS Number	364344-56-9^Y
PubChem CID	9794092
ChemSpider	7969859
UNII	UVL6VJD7YC
Chemical and physical data
Formula	C₁₂H₁₄N₂
Molar mass	186.258 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C12=CC=CC=C1N3C(CCNCC3)=C2
InChI InChI=1S/C12H14N2/c1-2-4-12-10(3-1)9-11-5-6-13-7-8-14(11)12/h1-4,9,13H,5-8H2 Key:XORPZYQOYUSNCQ-UHFFFAOYSA-N

Anonymous

Search

Chemistry:PNU-181731

See also

References

Navigation

Wiki tools

Page tools

Other projects

Categories