Pyrenocine A
Pyrenocine A structure
|
Common Name | Pyrenocine A | ||
|---|---|---|---|---|
| CAS Number | 76868-97-8 | Molecular Weight | 208.21100 | |
| Density | 1.16g/cm3 | Boiling Point | 326.9ºC at 760 mmHg | |
| Molecular Formula | C11H12O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 144.1ºC | |
Summary: 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one (Pyrenocine A, CAS: 76868-97-8), molecular formula: C11H12O4, molecular weight: 208.21100. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.16g/cm3 |
|---|---|
| Boiling Point | 326.9ºC at 760 mmHg |
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.21100 |
| Flash Point | 144.1ºC |
| Exact Mass | 208.07400 |
| PSA | 56.51000 |
| LogP | 1.71560 |
| Index of Refraction | 1.515 |
| InChIKey | VVYCRPVWBIEKIW-SNAWJCMRSA-N |
| SMILES | CC=CC(=O)c1c(OC)cc(=O)oc1C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2932999099 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Pyrenocine A CAS#:76868-97-8 |
| Literature: Ichihara, Akitami; Murakami, Kazuo; Sakamura, Sadao Tetrahedron Letters, 1981 , vol. 22, # 40 p. 4005 - 4006 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 4 | |
CAS#:79214-49-6
CAS#:79214-47-4
CAS#:79214-48-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2932999099 |
|---|---|
| Summary | 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: USP8 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 8
External Id: USP8 FAST DUB HTS Primary
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Name: USP17 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 17 like family member 5
External Id: USP17 FAST DUB HTS Primary
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Name: USP7 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 7
External Id: USP7 FAST DUB HTS Primary
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Name: Induction of cell cycle arrest in S phase synchronized human HeLa cells stably expres...
Source: ChEMBL
Target: HeLa
External Id: CHEMBL4410597
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Name: Induction of cell cycle arrest in S phase synchronized human HeLa cells stably expres...
Source: ChEMBL
Target: HeLa
External Id: CHEMBL4410598
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|
Name: Induction of cell cycle arrest in S phase synchronized human HeLa cells stably expres...
Source: ChEMBL
Target: HeLa
External Id: CHEMBL4410599
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Name: Induction of cell cycle arrest in S phase synchronized human HeLa cells stably expres...
Source: ChEMBL
Target: HeLa
External Id: CHEMBL4410600
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Name: Induction of cell cycle arrest in human HeLa cells assessed as mono-polar spindles fo...
Source: ChEMBL
Target: HeLa
External Id: CHEMBL4410601
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Name: Inhibition of human Eg5 motor domain (1 to 368 residues) expressed in Escherichia col...
Source: ChEMBL
Target: Kinesin-like protein KIF11
External Id: CHEMBL4410603
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Name: USP28 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 28
External Id: USP28 FAST DUB HTS Primary
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| citreopyrone |
| Pyrenocin A |
| Pyrenocine A |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one? |
| A: Molecular formula of 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one is C11H12O4. |
| Q: What is the LogP of 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one? |
| A: LogP of 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one is 1.71560. |
| Q: What is the Chinese name of 76868-97-8? |
| A: Chinese name of 76868-97-8 is 76868-97-8. |
| Q: What is the English name of 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one? |
| A: The English name of 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one is 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one. |
| Q: What is the molecular weight of 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one? |
| A: Molecular weight of 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one is 208.21100. |
| Q: What is the boiling point of 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one? |
| A: Boiling point of 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one is 326.9ºC at 760 mmHg. |
| Q: What is the SMILES notation of 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one? |
| A: SMILES notation of 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one is CC=CC(=O)c1c(OC)cc(=O)oc1C. |
| Q: What are the upstream materials of 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one? |
| A: Related upstream materials(CAS) of 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one: 108-24-7;72674-29-4. |
| Q: What are the downstream products of 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one? |
| A: Related downstream products(CAS) of 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one: 72674-29-4;79214-49-6;79214-47-4;79214-48-5. |
| Q: What English synonyms does 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one have? |
| A: English synonyms of 5-[(E)-but-2-enoyl]-4-methoxy-6-methylpyran-2-one: citreopyrone, Pyrenocin A, Pyrenocine A. |
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. |