Practical Applications of a SDMS (Scientific Data Management System)

SB-216641
Clinical data
ATC code	none;
Identifiers
	IUPAC name N-[3-[3-(dimethylamino)ethoxy]-4-methoxyphenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-carboxamide;
CAS Number	170230-39-4 ;
PubChem CID	3292447;
IUPHAR/BPS	28;
ChemSpider	2541153;
UNII	ZM4360761C;
CompTox Dashboard (EPA)	DTXSID4043985 ;
Chemical and physical data
Formula	C28H30N4O4
Molar mass	486.572 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CN(C)CCOc1cc(ccc1OC)NC(=O)c3ccc(cc3)-c2ccc(cc2C)-c4noc(C)n4;
	InChI InChI=1S/C28H30N4O4/c1-18-16-22(27-29-19(2)36-31-27)10-12-24(18)20-6-8-21(9-7-20)28(33)30-23-11-13-25(34-5)26(17-23)35-15-14-32(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,30,33); Key:JRNUKVFYILMMLX-UHFFFAOYSA-N;
	(verify)

SB-216641 is a drug which is a selective antagonist for the serotonin receptor 5-HT_1B, with around 25x selectivity over the closely related 5-HT_1D receptor.^[1] It is used in scientific research,^[2]^[3]^[4] and has demonstrated anxiolytic effects in animal studies.^[5]^[6]

References

^ Price GW, Burton MJ, Collin LJ, Duckworth M, Gaster L, Göthert M, et al. (September 1997). "SB-216641 and BRL-15572--compounds to pharmacologically discriminate h5-HT1B and h5-HT1D receptors". Naunyn-Schmiedeberg's Archives of Pharmacology. 356 (3): 312–20. doi:10.1007/PL00005056. PMID 9303567. S2CID 26760453.
^ Matsuoka T, Hasuo H, Akasu T (March 2004). "5-Hydroxytryptamine 1B receptors mediate presynaptic inhibition of monosynaptic IPSC in the rat dorsolateral septal nucleus". Neuroscience Research. 48 (3): 229–38. doi:10.1016/j.neures.2003.11.004. PMID 15154669. S2CID 35850798.
^ Yan QS, Zheng SZ, Yan SE (September 2004). "Involvement of 5-HT1B receptors within the ventral tegmental area in regulation of mesolimbic dopaminergic neuronal activity via GABA mechanisms: a study with dual-probe microdialysis". Brain Research. 1021 (1): 82–91. doi:10.1016/j.brainres.2004.06.053. PMID 15328035. S2CID 46700479.
^ Lee JJ, Hahm ET, Lee CH, Cho YW (January 2008). "Serotonergic modulation of GABAergic and glutamatergic synaptic transmission in mechanically isolated rat medial preoptic area neurons". Neuropsychopharmacology. 33 (2): 340–52. doi:10.1038/sj.npp.1301396. PMID 17392733.
^ Tatarczyńska E, Kłodzińska A, Stachowicz K, Chojnacka-Wójcik E (December 2004). "Effects of a selective 5-HT1B receptor agonist and antagonists in animal models of anxiety and depression". Behavioural Pharmacology. 15 (8): 523–34. doi:10.1097/00008877-200412000-00001. PMID 15577451. S2CID 6940756.
^ Chojnacka-Wójcik E, Kłodzińska A, Tatarczyńska E (February 2005). "The anxiolytic-like effect of 5-HT1B receptor ligands in rats: a possible mechanism of action". The Journal of Pharmacy and Pharmacology. 57 (2): 253–7. doi:10.1211/0022357055399. PMID 15720791. S2CID 20743875.

[1] Price GW, Burton MJ, Collin LJ, Duckworth M, Gaster L, Göthert M, et al. (September 1997). "SB-216641 and BRL-15572--compounds to pharmacologically discriminate h5-HT1B and h5-HT1D receptors". Naunyn-Schmiedeberg's Archives of Pharmacology. 356 (3): 312–20. doi:10.1007/PL00005056. PMID 9303567. S2CID 26760453.

[2] Matsuoka T, Hasuo H, Akasu T (March 2004). "5-Hydroxytryptamine 1B receptors mediate presynaptic inhibition of monosynaptic IPSC in the rat dorsolateral septal nucleus". Neuroscience Research. 48 (3): 229–38. doi:10.1016/j.neures.2003.11.004. PMID 15154669. S2CID 35850798.

[3] Yan QS, Zheng SZ, Yan SE (September 2004). "Involvement of 5-HT1B receptors within the ventral tegmental area in regulation of mesolimbic dopaminergic neuronal activity via GABA mechanisms: a study with dual-probe microdialysis". Brain Research. 1021 (1): 82–91. doi:10.1016/j.brainres.2004.06.053. PMID 15328035. S2CID 46700479.

[4] Lee JJ, Hahm ET, Lee CH, Cho YW (January 2008). "Serotonergic modulation of GABAergic and glutamatergic synaptic transmission in mechanically isolated rat medial preoptic area neurons". Neuropsychopharmacology. 33 (2): 340–52. doi:10.1038/sj.npp.1301396. PMID 17392733.

[5] Tatarczyńska E, Kłodzińska A, Stachowicz K, Chojnacka-Wójcik E (December 2004). "Effects of a selective 5-HT1B receptor agonist and antagonists in animal models of anxiety and depression". Behavioural Pharmacology. 15 (8): 523–34. doi:10.1097/00008877-200412000-00001. PMID 15577451. S2CID 6940756.

[6] Chojnacka-Wójcik E, Kłodzińska A, Tatarczyńska E (February 2005). "The anxiolytic-like effect of 5-HT1B receptor ligands in rats: a possible mechanism of action". The Journal of Pharmacy and Pharmacology. 57 (2): 253–7. doi:10.1211/0022357055399. PMID 15720791. S2CID 20743875.

[1]

[2]

[3]

[4]

[5]

[6]

Clinical data

ATC code	none
Identifiers
IUPAC name N-[3-[3-(dimethylamino)ethoxy]-4-methoxyphenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-carboxamide
CAS Number	170230-39-4^Y
PubChem CID	3292447
IUPHAR/BPS	28
ChemSpider	2541153
UNII	ZM4360761C
CompTox Dashboard (EPA)	DTXSID4043985
Chemical and physical data
Formula	C₂₈H₃₀N₄O₄
Molar mass	486.572 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CN(C)CCOc1cc(ccc1OC)NC(=O)c3ccc(cc3)-c2ccc(cc2C)-c4noc(C)n4
InChI InChI=1S/C28H30N4O4/c1-18-16-22(27-29-19(2)36-31-27)10-12-24(18)20-6-8-21(9-7-20)28(33)30-23-11-13-25(34-5)26(17-23)35-15-14-32(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,30,33) Key:JRNUKVFYILMMLX-UHFFFAOYSA-N
(verify)

Practical Applications of a SDMS (Scientific Data Management System)

See also

References