2-Amino-4-phenylthiazole - CAS 2010-06-2
Catalog: |
BB015657 |
Product Name: |
2-Amino-4-phenylthiazole |
CAS: |
2010-06-2 |
Synonyms: |
2-Thiazolamine, 4-phenyl-; 4-Phenyl-2-thiazolamine; Thiazole, 2-amino-4-phenyl-; 2-Amino-4-phenyl-1,3-thiazole; 4-Phenyl-1,3-thiazol-2-ylamine; 4-Phenyl-2-aminothiazole; 4-Phenyl-2-thiazolylamine; NSC 2528 |
IUPAC Name: | 4-phenyl-1,3-thiazol-2-amine |
Description: | 4-Phenyl-2-thiazolamine was used to prepare suberoylanilide hydroxamic acid (SAHA) analogs with cancer cell growth inhibitory activities. It was also used to synthesize ketone histone deacetylase inhibitors with antitumor activity in vivo. |
Molecular Weight: | 176.24 |
Molecular Formula: | C9H8N2S |
Canonical SMILES: | C1=CC=C(C=C1)C2=CSC(=N2)N |
InChI: | InChI=1S/C9H8N2S/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11) |
InChI Key: | PYSJLPAOBIGQPK-UHFFFAOYSA-N |
Boiling Point: | 363.4±11.0°C at 760 mmHg |
Melting Point: | 152.5°C |
Purity: | ≥95% |
Density: | 1.261±0.06 g/cm3 |
Solubility: | Soluble in DMF (10 mg/ml), DMSO 10 (mg/ml), Ethanol (12 mg/ml), Ethanol:PBS ((pH 7.2) (1:10), 0.1 mg/ml) |
Appearance: | White to Yellow to Pale Orange Crystalline Solid |
Storage: | Store at 2-8°C under inert gas (nitrogen or Argon) |
MDL: | MFCD00039680 |
LogP: | 2.97350 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021099842-A1 | Pentafluorobenzenesulfonamide derivatives and uses thereof | 20191122 |
WO-2020223548-A1 | Inhibiting usp36 | 20190430 |
WO-2020160180-A1 | Compounds and uses thereof | 20190129 |
US-2021171690-A1 | Photosensitive resin composition, cured film, laminate, transfer film, and manufacturing method of touch panel | 20180920 |
WO-2019234237-A1 | Heterocyclic compounds as class ii phosphoinositide 3-kinase inhibitors | 20180607 |
PMID | Publication Date | Title | Journal |
23000296 | 20121101 | Novel multipotent phenylthiazole-tacrine hybrids for the inhibition of cholinesterase activity, β-amyloid aggregation and Ca²⁺ overload | Bioorganic & medicinal chemistry |
22465091 | 20120601 | A novel series of l-2-benzyloxycarbonylamino-8-(2-pyridyl)-disulfidyloctanoic acid derivatives as histone deacetylase inhibitors: design, synthesis and molecular modeling study | European journal of medicinal chemistry |
20370554 | 20100601 | Synthesis, physico-chemical investigations of Co(II), Ni(II) and Cu(II) complexes and their in vitro microbial, cytotoxic, DNA cleavage studies | Journal of enzyme inhibition and medicinal chemistry |
20055453 | 20100211 | Rational design of indoleamine 2,3-dioxygenase inhibitors | Journal of medicinal chemistry |
19419876 | 20090601 | A library of novel allosteric inhibitors against fructose 1,6-bisphosphatase | Bioorganic & medicinal chemistry |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.04081944 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.04081944 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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