Temocaprilat
Temocaprilat structure
|
Common Name | Temocaprilat | ||
|---|---|---|---|---|
| CAS Number | 110221-53-9 | Molecular Weight | 448.556 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 743.6±60.0 °C at 760 mmHg | |
| Molecular Formula | C21H24N2O5S2 | Melting Point | >230ºC (dec) | |
| MSDS | N/A | Flash Point | 403.5±32.9 °C | |
Use of TemocaprilatTemocaprilat (Temocapril diacid) is an inhibitor of angiotensin-converting enzyme (ACE). Temocaprilat alleviates the inhibitory effect of high glucose on the proliferation of aortic endothelial cells. Temocaprilat has potential applications in hypertension and vascular inflammation[1][2][3][4]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Temocaprilat |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Temocaprilat (Temocapril diacid) is an inhibitor of angiotensin-converting enzyme (ACE). Temocaprilat alleviates the inhibitory effect of high glucose on the proliferation of aortic endothelial cells. Temocaprilat has potential applications in hypertension and vascular inflammation[1][2][3][4]. |
|---|---|
| Related Catalog | |
| In Vitro | Temocaprilat (1、10、100 和 1000 nM；72 h) 以剂量依赖性方式缓解了高糖 (22.2 mM) 介导的人主动脉内皮细胞 (HAECs) 增殖抑制。Temocaprilat 在 HAECs 中抑制高糖诱导的氧化应激[1]。 Temocaprilat (1 µM；10 min) 在 HAECs 中增加了蛋白激酶 C (PKC) 活性[1]。 Temocaprilat (0.1 µM) 通过降低 IL-6 mRNA 的稳定性抑制 IL-1β 诱导的 IL-6 表达[4]。 |
| In Vivo | Temocaprilat (1 mg/kg/d；静脉注射；4 周) 在自发性高血压大鼠 (SHRs) 中，以时间依赖性方式显著降低了收缩压。Temocaprilat 改善了 Wistar-Kyoto (WKY) 小鼠和 SHR 小鼠的心肌纤维化及氧化应激[3]。 Animal Model: Six 10-week-old WKYs and SHRs and six 50-week-old (aging control) SHRs[3]. Dosage: 1 mg/kg/d. Administration: Intravenous injection; 4 weeks. Result: Reduced the expression levels of myocardial fibrosis, transforming growth factor-β1 (TGF-β1) mRNA and fibroblast growth factor-2 (FGF-2) mRNA in the left ventricle (LV). Weakened the expression levels of 8-isoprostane, p22phox mRNA, p47phox mRNA and gp91phox mRNA in LV. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 743.6±60.0 °C at 760 mmHg |
| Melting Point | >230ºC (dec) |
| Molecular Formula | C21H24N2O5S2 |
| Molecular Weight | 448.556 |
| Flash Point | 403.5±32.9 °C |
| Exact Mass | 448.112671 |
| PSA | 160.48000 |
| LogP | 3.51 |
| Vapour Pressure | 0.0±2.6 mmHg at 25°C |
| Index of Refraction | 1.665 |
| InChIKey | KZVWEOXAPZXAFB-BQFCYCMXSA-N |
| SMILES | O=C(O)CN1CC(c2cccs2)SCC(NC(CCc2ccccc2)C(=O)O)C1=O |
| Storage condition | -20°C |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 0 | |
CAS#:110221-44-8![2-[(E)-2-Nitrovinyl]thiophene Structure](https://image.chemsrc.com/caspic/350/34312-77-1.png)
CAS#:34312-77-1
CAS#:1914-59-6
CAS#:110143-65-2![N-t-butoxycarbonyl-S-[2-nitro-1-(thien-2-yl)ethyl]-L-cysteine Structure](https://image.chemsrc.com/caspic/302/102090-86-8.png)
CAS#:102090-86-8
CAS#:110143-66-3
CAS#:29678-81-7
CAS#:90315-82-5
CAS#:88767-98-0
CAS#:110221-37-9This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (2S-(2a,6b(R*)))-6-((1-Carboxy-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid |
| [[[2S,6R]-6-[[(S)-1-Carboxy-3-phenylpropyl]amino]hexahydro-5-oxo-2-(2-thienyl)-1,4-thiazepin]-4-yl]acetic acid |
| (+)-[(2S,6R)-6-[[(S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepin-4-yl]acetic acid |
| Temocaprilat |
| (2S,6R)-6-[[(1S)-1-Carboxy-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic Acid |
| (2S)-2-{[(2S,6R)-4-(Carboxymethyl)-5-oxo-2-(2-thienyl)-1,4-thiazepan-6-yl]amino}-4-phenylbutanoic acid |
| Temocapril Diacid |
| (+)-(2S,6R)-6-(((1S)-1-carboxy-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid |
| (2S)-2-{[(2S,6R)-4-(carboxymethyl)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-6-yl]amino}-4-phenylbutanoic acid |
| RS-5139 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of Temocaprilat? |
| A: SMILES notation of Temocaprilat is O=C(O)CN1CC(c2cccs2)SCC(NC(CCc2ccccc2)C(=O)O)C1=O. |
| Q: What is the CAS number of Temocaprilat? |
| A: CAS number of Temocaprilat is 110221-53-9. |
| Q: What is the polar surface area (PSA) of Temocaprilat? |
| A: Polar surface area (PSA) of Temocaprilat is 160.48000. |
| Q: What is the English name of Temocaprilat? |
| A: The English name of Temocaprilat is Temocaprilat. |
| Q: What are the storage conditions for Temocaprilat? |
| A: Storage conditions for Temocaprilat: -20°C. |
| Q: What are the upstream materials of Temocaprilat? |
| A: Related upstream materials(CAS) of Temocaprilat: 110221-44-8;34312-77-1;1914-59-6;110143-65-2;102090-86-8;110143-66-3;29678-81-7;90315-82-5;88767-98-0;110221-37-9. |
| Q: What is the molecular weight of Temocaprilat? |
| A: Molecular weight of Temocaprilat is 448.556. |
| Q: What is the LogP of Temocaprilat? |
| A: LogP of Temocaprilat is 3.51. |
| Q: What is the boiling point of Temocaprilat? |
| A: Boiling point of Temocaprilat is 743.6±60.0 °C at 760 mmHg. |
| Q: What is the InChIKey of Temocaprilat? |
| A: InChIKey of Temocaprilat is KZVWEOXAPZXAFB-BQFCYCMXSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |