hPGDS-IN-1 structure
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Common Name | hPGDS-IN-1 | ||
|---|---|---|---|---|
| CAS Number | 1234708-04-3 | Molecular Weight | 416.43300 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C22H20N6O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Use of hPGDS-IN-1hPGDS-IN-1 is a hPGDS inhibitor ,with IC50 of 12 nM in the Fluorescence Polarization Assay or the EIA assay.IC50 value: 12 nMTarget: hPGDSThe detailed information please refer to WO2011044307A1 and WO2010080563A2 |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | hPGDS-IN-1 is a hPGDS inhibitor ,with IC50 of 12 nM in the Fluorescence Polarization Assay or the EIA assay.IC50 value: 12 nMTarget: hPGDSThe detailed information please refer to WO2011044307A1 and WO2010080563A2 |
|---|---|
| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C22H20N6O3 |
|---|---|
| Molecular Weight | 416.43300 |
| Exact Mass | 416.16000 |
| PSA | 126.92000 |
| LogP | 3.13690 |
| InChIKey | VJCLAPUACUQZOV-UHFFFAOYSA-N |
| SMILES | CC(C)(O)c1nc(-c2cccc(CNC(=O)c3cnc(-c4ccccn4)nc3)c2)no1 |
| Storage condition | 2-8℃ |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Binding affinity to HPGDS (unknown origin) assessed as change in melting temperature ...
Source: ChEMBL
Target: Hematopoietic prostaglandin D synthase
External Id: CHEMBL4724450
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Name: Binding affinity to HPGDS (unknown origin) assessed as change in melting temperature ...
Source: ChEMBL
Target: Hematopoietic prostaglandin D synthase
External Id: CHEMBL4724451
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|
Name: Enzyme Immunoassay (EIA) Assay from US Patent US9469627: "Phenyloxadiazole derivative...
Source: BindingDB
Target: N/A
External Id: BindingDB_8464_1
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Name: Inhibition of HPGDS (unknown origin) by fluorescence polarization assay
Source: ChEMBL
Target: Hematopoietic prostaglandin D synthase
External Id: CHEMBL4724449
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|
Name: Inhibition of HPGDS (unknown origin) assessed as reduction in reduction in GSTase act...
Source: ChEMBL
Target: Hematopoietic prostaglandin D synthase
External Id: CHEMBL4724452
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|
Name: Inhibition of HPGDS (unknown origin) assessed as reduction in reduction in LPS-induce...
Source: ChEMBL
Target: Hematopoietic prostaglandin D synthase
External Id: CHEMBL4724453
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-pyridin-2-yl-pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methyl-ethyl)-1,2,4-oxadiazol-3-yl]benzylamide |
| SAR-191801 |
| hPGDS-IN-1 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the storage conditions for 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide? |
| A: Storage conditions for 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide: 2-8℃. |
| Q: What are the uses of 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide? |
| A: Main uses of 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide: hPGDS-IN-1 is a hPGDS inhibitor ,with IC50 of 12 nM in the Fluorescence Polarization Assay or the EIA assay.IC50 value: 12 nMTarget: hPGDSThe detailed information please refer to WO2011044307A1 and WO2010080563A2. |
| Q: What is the English name of 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide? |
| A: The English name of 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide is 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide. |
| Q: What is the CAS number of 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide? |
| A: CAS number of 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide is 1234708-04-3. |
| Q: What is the SMILES notation of 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide? |
| A: SMILES notation of 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide is CC(C)(O)c1nc(-c2cccc(CNC(=O)c3cnc(-c4ccccn4)nc3)c2)no1. |
| Q: What is the Chinese name of 1234708-04-3? |
| A: Chinese name of 1234708-04-3 is HPGDS-IN-1. |
| Q: What is the InChIKey of 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide? |
| A: InChIKey of 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide is VJCLAPUACUQZOV-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide? |
| A: Polar surface area (PSA) of 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide is 126.92000. |
| Q: What English synonyms does 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide have? |
| A: English synonyms of 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide: 2-pyridin-2-yl-pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methyl-ethyl)-1,2,4-oxadiazol-3-yl]benzylamide, SAR-191801, hPGDS-IN-1. |
| Q: What is the LogP of 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide? |
| A: LogP of 2-(pyridin-2-yl)pyrimidine-5-carboxylic acid 3-[5-(1-hydroxy-1-methylethyl)-1,2,4]oxadiazol-3-yl-benzylamide is 3.13690. |
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. |