![11-(2-(2-((DIETHYLAMINO)METHYL)PIPERIDIN-1-YL)ACETYL)-5H-BENZO[E]PYRIDO[3,2-B][1,4]DIAZEPIN-6(11H)-ONE structure, CAS 102394-31-0](/structures/120000/109937_1_102394_31_0.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 102394-31-0 |
| Catalog No. | 2A-0109937 |
| Chinese Name | 11-((2-((二乙氨基)甲基)-1-哌啶基)乙酰基)-5,11-二氢-(6H)-吡啶并[2.3-b][1.4]苯并二氮杂-6-酮 |
| Synonyms | NPEC-caged-dopamine; ethyl)-7-piperidinyl)acetyl); AF-DX 116 |
| Molecular Formula | C24H31N5O2 |
| Molecular Weight | 421.54 |
| Purity | ≥98 (HPLC) |
| Density | 1.171 g/cm3 |
| Boiling Point | 573.2ºC at 760 mmHg |
| Appearance | powder |
| Storage Condition | 2-8°C |
| Application | Otenzepad (AF-DX 116) is a selective, competitive M2 muscarinic acetylcholine receptor antagonist with IC50 values of 640 nM in rabbit peripheral lung and 386 nM in rat heart, respectively. |
| EINECS | 0 |
| HTC | 0 |
| UN(IATA) | 0 |
| PubChem ID | 329824718 |
| MDL Number | MFCD00864743 |
| SMILES | CCN(CC)CC1CCCCN1CC(=O)N2c3ccccc3C(=O)Nc4cccnc24 |
| InChI | 1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31) |
| InChI Key | UBRKDAVQCKZSPO-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| Hazard Symbols | transportation |
| MSDS | msds/109937_1_102394_31_0.pdf |
| Bioactivity | Otenzepad (AF-DX 116) is a selective and competitive M2 muscarinic acetylcholine receptor antagonist, with IC50 values of 640 nM and 386 nM for rabbit peripheral lung and rat heart, respectively[1]. Related Catalog Signaling Pathways >> Neuronal Signaling >> mAChR Signaling Pathways >> GPCR/G Protein >> mAChR Research Areas >> Metabolic Disease Research Areas >> Neurological Disease Target 640 nM (M2 muscarinic acetylcholine receptor in rabbit peripheral lung), 386 nM (M2 muscarinic acetylcholine receptor in rat heart)[1]. In Vivo Otenzepad (0.5, 1 mg/kg, s.c., in rats) significantly improved win-stay acquisition relative to vehicle-injected controls[2]. Otenzepad (2 mg/kg, s.c., in rats) significantly improved retention relative to vehicle controls[2]. Otenzepad (0.3, 1.0, or 3.0 mg/kg, ip, in mice) potentiates the effects of glucose and reverses the effects of insulin on memory[3]. Animal Model: Forty-eight male Long-Evans rats (325-350 g)[2]. Dosage: 0.25, 0.5, 1.0 and 2.0 mg/kg. Administration: S.C. on the dorsum of the neck once. Result: Doses of 0.5 and 1.0 mg/kg significantly improved acquisition relative to vehicle controls, while doses of 0.25 and 2.0 mg/kg had no effect. Animal Model: Adult male Swiss mice (age 60-70 days; weight 25-30 g)[3]. Dosage: 0.3, 1.0, or 3.0 mg/kg. Administration: IP once. Result: Enhanced retention in an inverted-U dose-response manner, with significant enhancement seen at 1.0 mg/kg (U15,15 = 49, p < 0.02, compared with saline-saline-injected control group). References [1]. Bloom JW, et al. Heterogeneity of the M1 muscarinic receptor subtype between peripheral lung and cerebral cortex demonstrated by the selective antagonist AF-DX 116. Life Sci. 1987 Jul 27;41(4):491-6. [2]. Packard MG, et al. Post-training injection of the acetylcholine M2 receptor antagonist AF-DX 116 improves memory. Brain Res. 1990 Jul 30;524(1):72-6. [3]. Kopf SR, et al. AF-DX 116, a presynaptic muscarinic receptor antagonist, potentiates the effects of glucose and reverses the effects of insulin on memory. Neurobiol Learn Mem. 1998 Nov;70(3):305-13. Chemical & Physical Properties Density 1.171 g/cm3 Boiling Point 573.2ºC at 760 mmHg Molecular Formula C24H31N5O2 Molecular Weight 421.53500 Flash Point 300.5ºC Exact Mass 421.24800 PSA 74.23000 LogP 3.21440 InChIKey UBRKDAVQCKZSPO-UHFFFAOYSA-N SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 Storage condition 2-8°C |
| Use of | Properties Articles26 Name 11-[[2-[(Diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one Synonym More Synonyms Otenzepad Biological Activity Related Catalog Signaling Pathways >> Neuronal Signaling >> mAChR Signaling Pathways >> GPCR/G Protein >> mAChR Research Areas >> Metabolic Disease Research Areas >> Neurological Disease References [2]. Packard MG, et al. Post-training injection of the acetylcholine M2 receptor antagonist AF-DX 116 improves memory. Brain Res. 1990 Jul 30;524(1):72-6. [3]. Kopf SR, et al. AF-DX 116, a presynaptic muscarinic receptor antagonist, potentiates the effects of glucose and reverses the effects of insulin on memory. Neurobiol Learn Mem. 1998 Nov;70(3):305-13. Chemical & Physical Properties Molecular Formula C24H31N5O2 Exact Mass 421.24800 PSA 74.23000 LogP 3.21440 InChIKey UBRKDAVQCKZSPO-UHFFFAOYSA-N |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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