TCMDC-124283
TCMDC-124283 structure
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Common Name | TCMDC-124283 | ||
|---|---|---|---|---|
| CAS Number | 700-49-2 | Molecular Weight | 153.12 | |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 676.9±58.0 °C at 760 mmHg | |
| Molecular Formula | C5H4FN5 | Melting Point | >350 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 363.2±32.3 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of TCMDC-1242832-Fluoroadenine is a toxic purine bases. 2-Fluoroadenine has toxicity in nonproliferating and proliferating tumor cells. 2-Fluoroadenine can be used for researching anticancer[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-fluoroadenine |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 2-Fluoroadenine is a toxic purine bases. 2-Fluoroadenine has toxicity in nonproliferating and proliferating tumor cells. 2-Fluoroadenine can be used for researching anticancer[1]. |
|---|---|
| Related Catalog | |
| Target |
DNA/RNA synthesis[1] |
| In Vitro | 2-Fluoroadenine (2 μM; 4 hours) inhibits CEM cell growth by targeting one or more enzymes involved in either RNA or protein synthesis[1]. 2-Fluoroadenine (0-1000 μM; 96 hours) exhibits cytotoxicity in nonproliferating MRC-5 cells[1]. 2-Fluoroadenine (0.22, 2.2 and 22 μM; 30 hours) inhibits protein, RNA, and DNA syntheses in Balb-3T3 cells incubated in serum-free medium[1]. Cell Proliferation Assay Cell Line: CEM cells[1] Concentration: 2 μM Incubation Time: 4 hours Result: Inhibited CEM cell growth by targeting one or more enzymes involved in either RNA or protein synthesis. Cell Cytotoxicity Assay Cell Line: MRC-5 cells[1] Concentration: 0-1000 μM Incubation Time: 4 hours Result: Exhibited cytotoxicity in nonproliferating MRC-5 cells. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.7±0.1 g/cm3 |
|---|---|
| Boiling Point | 676.9±58.0 °C at 760 mmHg |
| Melting Point | >350 °C(lit.) |
| Molecular Formula | C5H4FN5 |
| Molecular Weight | 153.12 |
| Flash Point | 363.2±32.3 °C |
| Exact Mass | 153.045074 |
| PSA | 80.48000 |
| LogP | -0.01 |
| Vapour Pressure | 0.0±2.1 mmHg at 25°C |
| Index of Refraction | 1.783 |
| InChIKey | WKMPTBDYDNUJLF-UHFFFAOYSA-N |
| SMILES | Nc1nc(F)nc2nc[nH]c12 |
| Storage condition | Refrigerator |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | AU6264700 |
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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TCMDC-124283 CAS#:700-49-2 |
| Literature: WO2006/81665 A1, ; Page/Page column 26-27 ; |
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TCMDC-124283 CAS#:700-49-2 |
| Literature: US5180824 A1, ; |
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TCMDC-124283 CAS#:700-49-2 |
| Literature: US5180824 A1, ; |
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TCMDC-124283 CAS#:700-49-2 |
| Literature: SAISCHEK, Gerald Patent: US2009/163713 A1, 2009 ; Location in patent: Page/Page column 2 ; |
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TCMDC-124283 CAS#:700-49-2
Learn More
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| Literature: Nucleosides and Nucleotides, , vol. 18, # 4-5 p. 745 - 757 |
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TCMDC-124283 CAS#:700-49-2 |
| Literature: Nucleosides and Nucleotides, , vol. 18, # 4-5 p. 745 - 757 |
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TCMDC-124283 CAS#:700-49-2
Learn More
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| Literature: Nucleosides and Nucleotides, , vol. 18, # 4-5 p. 745 - 757 |
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TCMDC-124283 CAS#:700-49-2
Learn More
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| Literature: Nucleosides and Nucleotides, , vol. 18, # 4-5 p. 745 - 757 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 3 | |
CAS#:86626-06-4This 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 lists relevant public references with title, journal and publication metadata for this compound.
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Reduced drug incorporation into DNA and antiapoptosis as the crucial mechanisms of resistance in a novel nelarabine-resistant cell line.
BMC Cancer 14 , 547, (2014) Nine-beta-D-arabinofuranosylguanine (ara-G), an active metabolite of nelarabine, enters leukemic cells through human Equilibrative Nucleoside Transporter 1, and is then phosphorylated to an intracellu... |
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Endothelin-1 promotes survival and chemoresistance in chronic lymphocytic leukemia B cells through ETA receptor.
PLoS ONE 9(6) , e98818, (2014) The endothelin axis, comprising endothelins (ET-1, ET-2 and ET-3) and their receptors (ET(A)R and ETBR), has emerged as relevant player in tumor growth and metastasis. Here, we investigated the involv... |
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Preparation of a fludarabine intermediate via selective alkylation of 2-fluoroadenine.
Nucleosides Nucleotides Nucleic Acids 25(7) , 735-45, (2006) The reaction between 2-fluoroadenine (3) and 1,3,5-tri-O-benzyl-1-alpha-D-chloroarabinofuranose (4) with potassium t-amylate was evaluated in various solvents to afford 9-beta-D-(2,3,5-tri-O-benzyl-ar... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania ...
Source: ChEMBL
Target: Glucose transporter
External Id: CHEMBL3436044
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Name: Biochemical screen of P. falciparum CDPK1
Source: 1187
Target: Calcium-Dependent Protein Kinase 1 (CDPK1)
External Id: PfalCDPK1
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Name: Trypanocidal activity against bloodstream stage of Trypanosoma brucei brucei AnTat1.1...
Source: ChEMBL
Target: Trypanosoma brucei brucei
External Id: CHEMBL3110905
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Name: ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania ...
Source: ChEMBL
Target: Solute carrier family 2, facilitated glucose transporter member 1
External Id: CHEMBL3436042
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Name: Biochemical screen of P. falciparum PK7
Source: 1187
Target: Protein Kinase 7 (PK7)
External Id: PfalPK7
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Name: ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania ...
Source: ChEMBL
Target: Hexose transporter 1
External Id: CHEMBL3436043
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Name: Biochemical screen of P. falciparum PK6
Source: 1187
Target: Protein Kinase 6 (PK6)
External Id: PfalPK6
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Name: Biochemical screen of P. falciparum MAPK2
Source: 1187
Target: mitogen-activated protein kinase 2 (MAP2 or MAPK2)
External Id: PfalMAPK2
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Name: Biochemical screen of P. falciparum CDPK4
Source: 1187
Target: Calcium-Dependent Protein Kinase 4 (CDPK4)
External Id: PfalCDPK4
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Name: Inhibition of ATPgammaS-BODIPY binding to Thermotoga maritima His-tagged HK853 expres...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4020051
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-fluoro-adenin |
| 2-FLUORO-6-AMINOPURINE |
| 2-fluoro-9H-purin-6-amine |
| 2-Fluoroadenine |
| 6-AMINO-2-FLUOROPURINE |
| TCMDC-124283 |
| MFCD01632749 |
| 2-fluoropurine |
| 2-fluoroadenibe |
| 2-Fluoro-1H-purin-6-amine |
| 2-fad |
| 6-amino-2-fluoro-purin |
| BUTTPARK 25 1-01 |
| 2-fluoradenine |
| 2-fluoro-1h-purin-6-amin |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the uses of 2-fluoroadenine? |
| A: Main uses of 2-fluoroadenine: 2-Fluoroadenine is a toxic purine bases. 2-Fluoroadenine has toxicity in nonproliferating and proliferating tumor cells. 2-Fluoroadenine can be used for researching anticancer[1]. |
| Q: What is the CAS number of 2-fluoroadenine? |
| A: CAS number of 2-fluoroadenine is 700-49-2. |
| Q: What are the storage conditions for 2-fluoroadenine? |
| A: Storage conditions for 2-fluoroadenine: Refrigerator. |
| Q: What is the molecular formula of 2-fluoroadenine? |
| A: Molecular formula of 2-fluoroadenine is C5H4FN5. |
| Q: What is the SMILES notation of 2-fluoroadenine? |
| A: SMILES notation of 2-fluoroadenine is Nc1nc(F)nc2nc[nH]c12. |
| Q: What is the English name of 2-fluoroadenine? |
| A: The English name of 2-fluoroadenine is 2-fluoroadenine. |
| Q: What is the polar surface area (PSA) of 2-fluoroadenine? |
| A: Polar surface area (PSA) of 2-fluoroadenine is 80.48000. |
| Q: What is the LogP of 2-fluoroadenine? |
| A: LogP of 2-fluoroadenine is -0.01. |
| Q: What is the InChIKey of 2-fluoroadenine? |
| A: InChIKey of 2-fluoroadenine is WKMPTBDYDNUJLF-UHFFFAOYSA-N. |
| Q: What is the melting point of 2-fluoroadenine? |
| A: Melting point of 2-fluoroadenine is >350 °C(lit.). |
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. |
| Henan Tianfu Chemical Co., Ltd. |