4-(Boc-amino)-1-methyl-1H-imidazole-2-carboxylic acid - CAS 128293-64-1
Catalog: |
BB006895 |
Product Name: |
4-(Boc-amino)-1-methyl-1H-imidazole-2-carboxylic acid |
CAS: |
128293-64-1 |
Synonyms: |
BOC-NH(4)-MEIMD-(2)-OH; 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid; |
IUPAC Name: | 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid |
Description: | 4-(Boc-amino)-1-methyl-1H-imidazole-2-carboxylic acid (CAS# 128293-64-1) is used in the synthesis of polyamides containing imidazole and pyrrole amino acids. It is also used to prepare distamycin A analogs as DNA binding agents. |
Molecular Weight: | 241.25 |
Molecular Formula: | C10H15N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CN(C(=N1)C(=O)O)C |
InChI: | InChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)12-6-5-13(4)7(11-6)8(14)15/h5H,1-4H3,(H,12,16)(H,14,15) |
InChI Key: | GZBSJWBQXNCOFP-UHFFFAOYSA-N |
Melting Point: | 200-201 ℃ |
Purity: | ≥ 98 % (HPLC) |
Density: | 1.29±0.1 g/cm3(Predicted) |
Appearance: | White to greyish white solid |
Storage: | Store at -20 ℃ |
LogP: | 1.53830 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021158707-A1 | Methods and compounds for the treatment of genetic disease | 20200203 |
CN-109970720-B | Aurora A protein inhibitor and preparation method and pharmaceutical application thereof | 20190425 |
WO-2020086551-A1 | Next generation synthetic transcription factors | 20181023 |
EP-3870588-A1 | Next generation synthetic transcription factors | 20181023 |
US-2020397914-A1 | Benzodiazepine derivatives | 20171228 |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.10625597 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.10625597 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 93.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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