CAS Number173997-05-2
Synonyms(S)-5-(Aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazole-2(3H)-thione; S1583_Selleck; SYN-117; Nepitat; nepicastat
Molecular FormulaC14H15F2N3S
Molecular Weight331.81
Purity≥95 (HPLC)%
Density1.4±0.1 g/cm3
Boiling Point401.8±55.0 °C at 760 mmHg
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 173997-05-2 |
| Catalog No. | 2A-9011615 |
| Chinese Name | 5-(氨甲基)-1-((S)-5,7-二氟-1,2,3,4-四氢-2-萘)-4-咪唑啉-2-硫酮 |
| Synonyms | (S)-5-(Aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazole-2(3H)-thione; S1583_Selleck; SYN-117; Nepitat; nepicastat |
| Molecular Formula | C14H15F2N3S |
| Molecular Weight | 331.81 |
| Purity | ≥95 (HPLC) |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 401.8±55.0 °C at 760 mmHg |
| Appearance | powder |
| Storage Condition | 2-8℃ |
| Application | Nepicastat (SYN117; RS-25560-197) is a dopamine beta-hydroxylase inhibitor with IC50s of 8.5nM and 9.0nM for bovine and human dopamine beta-hydroxylase, respectively. |
| HTC | 2934999090 |
| PubChem ID | 329825620 |
| MDL Number | MFCD00954638 |
| SMILES | FC1=CC2=C(CC[C@H](N3C(CN)=CNC3=S)C2)C(F)=C1.Cl |
| InChI | 1S/C14H15F2N3S.ClH/c15-9-3-8-4-10(1-2-12(8)13(16)5-9)19-11(6-17)7-18-14(19)20;/h3,5,7,10H,1-2,4,6,17H2,(H,18,20);1H/t10-;/m0./s1 |
| InChI Key | DIPDUAJWNBEVOY-PPHPATTJSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/11615_1_173997_05_2.pdf |
| Use of | Properties Name 4-(aminomethyl)-3-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazole-2-thione Synonym More Synonyms Nepicastat Biological Activity Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Dopamine β-hydroxylase Research Areas >> Cardiovascular Disease References [1]. Stanley WC, et al. Catecholamine modulatory effects of nepicastat (RS-25560-197), a novel, potent and selective inhibitor of dopamine-beta-hydroxylase. Br J Pharmacol. 1997 Aug;121(8):1803-9. [2]. Stanley WC, et al. Cardiovascular effects of nepicastat (RS-25560-197), a novel dopamine beta-hydroxylase inhibitor. J Cardiovasc Pharmacol. 1998 Jun;31(6):963-70. [3]. Sabbah HN, et al. Effects of dopamine beta-hydroxylase inhibition with nepicastat on the progression of left ventricular dysfunction and remodeling in dogs with chronic heart failure. Circulation. 2000 Oct 17;102(16):1990-5. [4]. Beliaev A, et al. Synthesis and biological evaluation of novel, peripherally selective chromanyl imidazolethione-based inhibitors of dopamine beta-hydroxylase. J Med Chem. 2006 Feb 9;49(3):1191-7. Chemical & Physical Properties Molecular Formula C14H15F2N3S Exact Mass 295.095459 PSA 78.83000 Index of Refraction 1.665 InChIKey YZZVIKDAOTXDEB-JTQLQIEISA-N Storage condition 2-8℃ Safety Information HS Code 2934999090 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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