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| SKU | Size | Availability |
Price | Qty |
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A466191-0.5ml
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0.5ml |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$188.90
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| Synonyms | (-) Anisomycin | 2-(p-Methoxybenzyl)-3,4-pyrrolidinediol 3-acetate | Bio1_000839 | Antibiotic PA-106 | AKOS015916532 | BDBM63919 | DivK1c_000855 | NSC 76712 | (2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl acetate | 1,4,5-Trideoxy-1,4-imi |
|---|---|
| Specifications & Purity | 10mg/mL in DMSO |
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aralkylamines Pyrrolidines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Pyrrolidine - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Secondary alcohol - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Organopnictogen compound - Alcohol - Carbonyl group - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | organonitrogen heterocyclic antibiotic - monohydroxypyrrolidine |
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| IUPAC Name | [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate |
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| INCHI | InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1 |
| InChIKey | YKJYKKNCCRKFSL-RDBSUJKOSA-N |
| Smiles | CC(=O)OC1C(CNC1CC2=CC=C(C=C2)OC)O |
| Isomeric SMILES | CC(=O)O[C@@H]1[C@H](CN[C@@H]1CC2=CC=C(C=C2)OC)O |
| WGK Germany | 3 |
| RTECS | BZ9800000 |
| UN Number | 3462 |
| Molecular Weight | 265.3 |
| Beilstein | 20705 |
| Reaxy-Rn | 221005 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=221005&ln= |
| Specific Rotation[α] | -30° (C=1,MeOH) |
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| Melt Point(°C) | 144 °C |
| Molecular Weight | 265.300 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 265.131 Da |
| Monoisotopic Mass | 265.131 Da |
| Topological Polar Surface Area | 67.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 302.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Hewen Qian, Yuanqing Ding, Xingyu Deng, Weiwei Huang, Zhenzhen Li, Fengling Liu, Jie Zhang, Lihui Wang, Junping Liu, Yaxia Yuan, Shurong Hou, Xiabin Chen, Lei Ma. (2023) Synthesis-accessibility-oriented design of c-Jun N-terminal kinase 1 inhibitor. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 256 (115442). |
| 2. Bei Sun, Hao Ou, Fei Ren, Yujiao Guan, Ye Huan, Hongwei Cai. (2021) Propofol Protects against Cerebral Ischemia/Reperfusion Injury by Down-Regulating Long Noncoding RNA SNHG14. ACS Chemical Neuroscience, 12 (16): (3002–3014). |
| 3. Yi Huang, Fengling Liu, Shuhua Ren, Yuanqing Ding, Man Chi, Weiwei Huang, Wenjing Gu, Hewen Qian, Yaxia Yuan, Shurong Hou, Xiabin Chen, Lei Ma. (2024) Structure Optimization of c-Jun N-terminal Kinase 1 Inhibitors for Treating Idiopathic Pulmonary Fibrosis. JOURNAL OF MEDICINAL CHEMISTRY, 67 (19): (17713-17737). |