| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
|
||
| 1g |
|
| Targets |
This compound does not possess a specific biological target. It is a synthetic building block used to introduce the 2‑amino‑3‑hydroxypyridine scaffold into larger molecules. When deprotected and further functionalized, the resulting compounds may target enzymes, receptors, or other proteins, but the intermediate itself is inert in biological systems.
|
|---|---|
| ln Vitro |
In vitro, this compound is employed as a reagent in cross‑coupling reactions (e.g., Suzuki, Buchwald‑Hartwig) to attach various aryl or heteroaryl groups at the bromine position. The hydroxyl group can be alkylated or acylated, and the Boc group can be removed under acidic conditions to reveal the free amine. Its chemical versatility makes it valuable for library synthesis. No direct biological activity is measured for this intermediate.
|
| ln Vivo |
In vivo, this intermediate is not used as a therapeutic agent. Its role is confined to the chemical synthesis of drug candidates. Any in vivo effects are associated with the final compounds derived from it, not with this intermediate itself. Research focuses on optimizing reaction conditions and yields rather than biological performance.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays are not relevant for this intermediate. Standard analytical methods include thin‑layer chromatography (TLC) for reaction monitoring, HPLC for purity determination, and NMR and MS for structural confirmation. These techniques ensure the compound's identity and quality before it is used in subsequent synthetic steps.
|
| Cell Assay |
In vitro cellular assays are not performed on this intermediate because it is not a bioactive substance. It is used solely as a chemical precursor. However, the final products synthesized from it may be tested in cell‑based models for activity, toxicity, or mechanism of action. The intermediate's own properties, such as solubility and stability, are evaluated only in the context of chemical reactions.
|
| Animal Protocol |
In vivo animal studies are not applicable to this intermediate. The compound is a research chemical for organic synthesis, not a drug candidate. Animal studies would be conducted on the pharmaceutical agents ultimately produced from this intermediate, not on the intermediate itself.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data are not available for this intermediate, as it is not intended for systemic administration. Its physical properties, such as melting point, solubility in organic solvents, and stability under various conditions, are characterized for synthetic purposes. No absorption, distribution, metabolism, or excretion (ADME) studies have been performed.
|
| Toxicity/Toxicokinetics |
The compound is classified as a laboratory chemical and should be handled with care. It may cause irritation to skin, eyes, and respiratory tract. No specific toxicological data are available because it is not a drug. Standard safety measures, including the use of gloves and fume hoods, are recommended. It is not for human consumption.
|
| Additional Infomation |
tert‑Butyl 5‑bromo‑3‑hydroxypyridin‑2‑ylcarbamate is a research chemical used as a building block in medicinal chemistry. It is particularly valuable for synthesizing pyridine‑based pharmaceuticals, such as kinase inhibitors and antiviral agents. The Boc group facilitates selective deprotection. It is not approved for clinical use and is intended for research purposes only.
|
| Exact Mass |
288.011
|
|---|---|
| CAS # |
1207175-73-2
|
| PubChem CID |
45489871
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.552
|
| Boiling Point |
363.8±42.0°C at 760 mmHg
|
| LogP |
2.91
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
16
|
| Complexity |
255
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(C)(C)OC(=O)NC1=C(C=C(C=N1)Br)O
|
| InChi Key |
FKSQRZXAISFJAG-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H13BrN2O3/c1-10(2,3)16-9(15)13-8-7(14)4-6(11)5-12-8/h4-5,14H,1-3H3,(H,12,13,15)
|
| Chemical Name |
tert-butyl N-(5-bromo-3-hydroxypyridin-2-yl)carbamate
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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