5-phenylpyrimidine-2-carboxylic acid
5-phenylpyrimidine-2-carboxylic acid structure
|
Common Name | 5-phenylpyrimidine-2-carboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 85386-20-5 | Molecular Weight | 200.19300 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C11H8N2O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: 5-phenylpyrimidine-2-carboxylic acid (Chinese name: 5-苯基-2-嘧啶羧酸, CAS number: 85386-20-5) is an organic compound with molecular formula C11H8N2O2 and molecular weight 200.19300. For storage, keep at 2-8°C, dry, and sealed. 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-phenylpyrimidine-2-carboxylic acid |
|---|---|
| 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.
| Molecular Formula | C11H8N2O2 |
|---|---|
| Molecular Weight | 200.19300 |
| Exact Mass | 200.05900 |
| PSA | 63.08000 |
| LogP | 1.84180 |
| InChIKey | ZONDVYAPHBZSJV-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ncc(-c2ccccc2)cn1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~%
5-phenylpyrimid... CAS#:85386-20-5 |
| Literature: BANYU PHARMACEUTICAL CO., LTD. Patent: EP1630162 A1, 2006 ; Location in patent: Page/Page column 24 ; EP 1630162 A1 |
|
~67%
5-phenylpyrimid... CAS#:85386-20-5 |
| Literature: Mikhaleva, M. A.; Kolesnichenko, G. A.; Rubina, K. I.; Gol'dberg, Yu. Sh.; Savel'ev, V. A.; et al. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1986 , vol. 22, # 3 p. 310 - 318 Khimiya Geterotsiklicheskikh Soedinenii, 1986 , vol. 22, # 3 p. 380 - 388 |
|
~62%
5-phenylpyrimid... CAS#:85386-20-5 |
| Literature: Mikhaleva, M. A.; Kolesnichenko, G. A.; Rubina, K. I.; Gol'dberg, Yu. Sh.; Savel'ev, V. A.; et al. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1986 , vol. 22, # 3 p. 310 - 318 Khimiya Geterotsiklicheskikh Soedinenii, 1986 , vol. 22, # 3 p. 380 - 388 |
|
~54%
5-phenylpyrimid... CAS#:85386-20-5 |
| Literature: Mikhaleva, M. A.; Kolesnichenko, G. A.; Rubina, K. I.; Gol'dberg, Yu. Sh.; Savel'ev, V. A.; et al. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1986 , vol. 22, # 3 p. 310 - 318 Khimiya Geterotsiklicheskikh Soedinenii, 1986 , vol. 22, # 3 p. 380 - 388 |
|
~71%
5-phenylpyrimid... CAS#:85386-20-5 |
| Literature: Mikhaleva, M. A.; Kolesnichenko, G. A.; Rubina, K. I.; Gol'dberg, Yu. Sh.; Savel'ev, V. A.; et al. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1986 , vol. 22, # 3 p. 310 - 318 Khimiya Geterotsiklicheskikh Soedinenii, 1986 , vol. 22, # 3 p. 380 - 388 |
|
~%
5-phenylpyrimid... CAS#:85386-20-5 |
| Literature: Mikhaleva, M. A.; Kolesnichenko, G. A.; Rubina, K. I.; Gol'dberg, Yu. Sh.; Savel'ev, V. A.; et al. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1986 , vol. 22, # 3 p. 310 - 318 Khimiya Geterotsiklicheskikh Soedinenii, 1986 , vol. 22, # 3 p. 380 - 388 |
|
~%
5-phenylpyrimid... CAS#:85386-20-5 |
| Literature: Mikhaleva, M. A.; Kolesnichenko, G. A.; Rubina, K. I.; Gol'dberg, Yu. Sh.; Savel'ev, V. A.; et al. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1986 , vol. 22, # 3 p. 310 - 318 Khimiya Geterotsiklicheskikh Soedinenii, 1986 , vol. 22, # 3 p. 380 - 388 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
|
|
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
|
|
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
|
|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
|
|
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
|
|
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
|
|
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
|
|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
|
|
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
|
|
Name: Absorbance-based primary biochemical high throughput screening assay to identify acti...
Source: The Scripps Research Institute Molecular Screening Center
Target: caspase-3 preproprotein [Homo sapiens]
External Id: PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| HMS2434C15 |
| 5-phenylpyrimidyl-2-carboxylic acid |
| CCG-7367 |
| 5-Phenyl-2-pyrimidinecarboxylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 5-phenylpyrimidine-2-carboxylic acid? |
| A: InChIKey of 5-phenylpyrimidine-2-carboxylic acid is ZONDVYAPHBZSJV-UHFFFAOYSA-N. |
| Q: What is the LogP of 5-phenylpyrimidine-2-carboxylic acid? |
| A: LogP of 5-phenylpyrimidine-2-carboxylic acid is 1.84180. |
| Q: What English synonyms does 5-phenylpyrimidine-2-carboxylic acid have? |
| A: English synonyms of 5-phenylpyrimidine-2-carboxylic acid: HMS2434C15, 5-phenylpyrimidyl-2-carboxylic acid, CCG-7367, 5-Phenyl-2-pyrimidinecarboxylic acid. |
| Q: What is the molecular formula of 5-phenylpyrimidine-2-carboxylic acid? |
| A: Molecular formula of 5-phenylpyrimidine-2-carboxylic acid is C11H8N2O2. |
| Q: What is the polar surface area (PSA) of 5-phenylpyrimidine-2-carboxylic acid? |
| A: Polar surface area (PSA) of 5-phenylpyrimidine-2-carboxylic acid is 63.08000. |
| Q: What is the SMILES notation of 5-phenylpyrimidine-2-carboxylic acid? |
| A: SMILES notation of 5-phenylpyrimidine-2-carboxylic acid is O=C(O)c1ncc(-c2ccccc2)cn1. |
| Q: What is the CAS number of 5-phenylpyrimidine-2-carboxylic acid? |
| A: CAS number of 5-phenylpyrimidine-2-carboxylic acid is 85386-20-5. |
| Q: What is the English name of 5-phenylpyrimidine-2-carboxylic acid? |
| A: The English name of 5-phenylpyrimidine-2-carboxylic acid is 5-phenylpyrimidine-2-carboxylic acid. |
| Q: What are the upstream materials of 5-phenylpyrimidine-2-carboxylic acid? |
| A: Related upstream materials(CAS) of 5-phenylpyrimidine-2-carboxylic acid: 37131-87-6;98-80-6;106307-55-5;34771-47-6;106307-59-9;85386-18-1;31408-20-5. |
| Q: What is the molecular weight of 5-phenylpyrimidine-2-carboxylic acid? |
| A: Molecular weight of 5-phenylpyrimidine-2-carboxylic acid is 200.19300. |
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. |