ML 354
ML 354 structure
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Common Name | ML 354 | ||
|---|---|---|---|---|
| CAS Number | 89159-60-4 | Molecular Weight | 282.29400 | |
| Density | 1.29g/cm3 | Boiling Point | 544ºC at 760 mmHg | |
| Molecular Formula | C16H14N2O3 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 282.8ºC | |
| Symbol |
GHS06 |
Signal Word | Danger | |
Use of ML 354ML354 is a selective PAR4 antagonist with an IC50 of 140 nM[1]. |
Summary: ML-354 (1-methyl-5-nitro-3-phenylindol-2-yl)methanol, CAS number 89159-60-4, molecular formula C16H14N2O3, molecular weight 282.29400, 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 | (1-methyl-5-nitro-3-phenylindol-2-yl)methanol |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | ML354 is a selective PAR4 antagonist with an IC50 of 140 nM[1]. |
|---|---|
| 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.
| Density | 1.29g/cm3 |
|---|---|
| Boiling Point | 544ºC at 760 mmHg |
| Molecular Formula | C16H14N2O3 |
| Molecular Weight | 282.29400 |
| Flash Point | 282.8ºC |
| Exact Mass | 282.10000 |
| PSA | 70.98000 |
| LogP | 3.76900 |
| Index of Refraction | 1.646 |
| InChIKey | GNJUKVGDCUKDLF-UHFFFAOYSA-N |
| SMILES | Cn1c(CO)c(-c2ccccc2)c2cc([N+](=O)[O-])ccc21 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301 |
| Precautionary Statements | Missing Phrase - N15.00950417 |
| RIDADR | UN 2811 6.1 / PGIII |
| HS Code | 2933990090 |
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 4 | |
|---|---|
| DownStream 2 | |
CAS#:84858-14-0![N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]formamide structure](https://image.chemsrc.com/caspic/074/84858-15-1.png)
CAS#:84858-15-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen 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: 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
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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
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Name: Primary qHTS assay for small molecule inhibitors of Inositol hexaphosphate kinase 1 (...
Source: NCGC
External Id: IP6K1-p1
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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
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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
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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
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Name: Cytochrome P450 family 3 subfamily A member 4 (CYP3A4) small molecule antagonists: lu...
Source: NCGC
External Id: CYP3A4437
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Name: Cytochrome P450 family 2 subfamily D member 6 (CYP2D6) small molecule antagonists: lu...
Source: NCGC
External Id: CYP2D6395
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Name: Cytochrome P450 family 2 subfamily C member 9 (CYP2C9) small molecule antagonists: lu...
Source: NCGC
External Id: CYP2C9536
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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.
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-methyl-2-hydroxymethyl-3-phenyl-5-nitroindole |
| 1h-indole-2-methanol,1-methyl-5-nitro-3-phenyl |
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 (1-methyl-5-nitro-3-phenylindol-2-yl)methanol? |
| A: SMILES notation of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol is Cn1c(CO)c(-c2ccccc2)c2cc([N+](=O)[O-])ccc21. |
| Q: What English synonyms does (1-methyl-5-nitro-3-phenylindol-2-yl)methanol have? |
| A: English synonyms of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol: 1-methyl-2-hydroxymethyl-3-phenyl-5-nitroindole, 1h-indole-2-methanol,1-methyl-5-nitro-3-phenyl. |
| Q: What is the molecular formula of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol? |
| A: Molecular formula of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol is C16H14N2O3. |
| Q: What is the CAS number of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol? |
| A: CAS number of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol is 89159-60-4. |
| Q: What are the uses of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol? |
| A: Main uses of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol: ML354 is a selective PAR4 antagonist with an IC50 of 140 nM[1]. |
| Q: What is the English name of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol? |
| A: The English name of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol is (1-methyl-5-nitro-3-phenylindol-2-yl)methanol. |
| Q: What are the upstream materials of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol? |
| A: Related upstream materials(CAS) of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol: 89173-89-7;41018-87-5;68285-93-8;70063-29-5. |
| Q: What is the InChIKey of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol? |
| A: InChIKey of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol is GNJUKVGDCUKDLF-UHFFFAOYSA-N. |
| Q: What are the downstream products of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol? |
| A: Related downstream products(CAS) of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol: 84858-14-0;84858-15-1. |
| Q: What is the LogP of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol? |
| A: LogP of (1-methyl-5-nitro-3-phenylindol-2-yl)methanol is 3.76900. |
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. |