Isocytosine
Isocytosine structure
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Common Name | Isocytosine | ||
|---|---|---|---|---|
| CAS Number | 108-53-2 | Molecular Weight | 111.102 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 393.6±34.0 °C at 760 mmHg | |
| Molecular Formula | C4H5N3O | Melting Point | 275°C | |
| MSDS | Chinese USA | Flash Point | 191.9±25.7 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of IsocytosineIsocytosine is a non-natural nucleobase and an isomer of cytosine. It is used in combination with Isoguanine in studies of unnatural nucleic acid analogues of the normal base pairs in DNA and used as a nucleobase of hachimoji RNA[1][2]. |
Summary: 2-Amino-4-hydroxypyrimidine (Isocytosine), CAS号108-53-2, molecular formula C4H5N3O, molecular weight 111.102, appears as a white to grayish-white solid, melting point 275°C, boiling point 393.6±34.0 °C, density 1.5±0.1 g/cm3. 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 | 2-amino-4-hydroxypyrimidine |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Isocytosine is a non-natural nucleobase and an isomer of cytosine. It is used in combination with Isoguanine in studies of unnatural nucleic acid analogues of the normal base pairs in DNA and used as a nucleobase of hachimoji RNA[1][2]. |
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| Related Catalog | |
| References |
[1]. "Isocytosine". Molecule of the Week. American Chemical Society. Retrieved November 1, 2012. |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 393.6±34.0 °C at 760 mmHg |
| Melting Point | 275°C |
| Molecular Formula | C4H5N3O |
| Molecular Weight | 111.102 |
| Flash Point | 191.9±25.7 °C |
| Exact Mass | 111.043259 |
| PSA | 72.03000 |
| LogP | -1.01 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.668 |
| Storage condition | Room temperature. |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H319 |
| Precautionary Statements | P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R22;R36 |
| Safety Phrases | S26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2933599090 |
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 10 | |
|---|---|
| DownStream 8 | |
CAS#:874-14-6
CAS#:50-01-1
CAS#:617-48-1
CAS#:113-00-8
CAS#:109-12-6
CAS#:77287-34-4![Imidazo[1,2-a]pyrimidin-5(1H)-one Structure](https://image.chemsrc.com/caspic/369/55662-68-5.png)
CAS#:55662-68-5
CAS#:25957-58-8
CAS#:3993-78-0
CAS#:5751-20-2
CAS#:66-22-8
CAS#:61937-71-1
CAS#:55662-33-4
CAS#:7254-29-7
CAS#:629645-53-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933599090 |
|---|---|
| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. 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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Lead optimization of isocytosine-derived xanthine oxidase inhibitors.
Bioorg. Med. Chem. Lett. 23(3) , 834-8, (2013) We report our attempts at improving the oral efficacy of low-nanomolar inhibitors of xanthine oxidase from isocytosine series through chemical modifications. Our lead compound had earlier shown good i... |
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Isocytosine-based inhibitors of xanthine oxidase: Design, synthesis, SAR, PK and in vivo efficacy in rat model of hyperuricemia
Bioorg. Med. Chem. Lett. 22(24) , 7543-6, (2012) Structure-activity relationship studies were carried out for lead generation following structure-guided design approach from an isocytosine scaffold identified earlier for xanthine oxidase inhibition.... |
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Indirect photochemical transformations of acyclovir and penciclovir in aquatic environments increase ecological risk.
Environ. Toxicol. Chem. 35 , 584-92, (2016) Acyclovir and penciclovir, 2 antiviral drugs, are increasingly detected in aquatic environments. The present study explores the natural photochemical transformation mechanisms and fate of these drugs,... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4(1H)-Pyrimidinone, 2-amino- (9CI) |
| 2-amino-4-oxo-3,4-dihydropyrimidine |
| 2-amino-3H-pyrimidin-4-one |
| Isocytosine |
| 2-Amino-4-pyrimidone |
| 2-Aminopyrimidin-4-ol |
| 2-amino-4-hydroxypyrimine |
| 2-Amino-4-hydroxypyrimidine |
| 4-Hydroxy-2-aminopyrimidine |
| 2-amino-1H-pyrimidin-6-one |
| MFCD00057557 |
| 2-Amino-4-hydroxypyrimidine,2-Aminouracil |
| 2-Aminopyrimidin-4(1H)-one |
| Iso Cytosine |
| 2-Amino-4(1H)-pyrimidinone |
| 2-Aminopyrimidin-4(3H)-one |
| 2-Amino-6-hydroxpyrimidine |
| EINECS 203-592-0 |
| 2-aminouracil |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of 2-amino-4-hydroxypyrimidine? |
| A: Melting point of 2-amino-4-hydroxypyrimidine is 275°C. |
| Q: What is the boiling point of 2-amino-4-hydroxypyrimidine? |
| A: Boiling point of 2-amino-4-hydroxypyrimidine is 393.6±34.0 °C at 760 mmHg. |
| Q: What is the molecular formula of 2-amino-4-hydroxypyrimidine? |
| A: Molecular formula of 2-amino-4-hydroxypyrimidine is C4H5N3O. |
| Q: What is the CAS number of 2-amino-4-hydroxypyrimidine? |
| A: CAS number of 2-amino-4-hydroxypyrimidine is 108-53-2. |
| Q: What is the safety information for 2-amino-4-hydroxypyrimidine? |
| A: Safety information for 2-amino-4-hydroxypyrimidine: S26. |
| Q: What are the storage conditions for 2-amino-4-hydroxypyrimidine? |
| A: Storage conditions for 2-amino-4-hydroxypyrimidine: Room temperature. |
| Q: What are the downstream products of 2-amino-4-hydroxypyrimidine? |
| A: Related downstream products(CAS) of 2-amino-4-hydroxypyrimidine: 3993-78-0;66-22-8;61937-71-1;55662-68-5;55662-33-4;108-53-2;7254-29-7;629645-53-0. |
| Q: What is the polar surface area (PSA) of 2-amino-4-hydroxypyrimidine? |
| A: Polar surface area (PSA) of 2-amino-4-hydroxypyrimidine is 72.03000. |
| Q: What is the LogP of 2-amino-4-hydroxypyrimidine? |
| A: LogP of 2-amino-4-hydroxypyrimidine is -1.01. |
| Q: What are the upstream materials of 2-amino-4-hydroxypyrimidine? |
| A: Related upstream materials(CAS) of 2-amino-4-hydroxypyrimidine: 874-14-6;50-01-1;617-48-1;113-00-8;109-12-6;77287-34-4;55662-68-5;25957-58-8;3993-78-0;5751-20-2. |
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. |