Ethyl 2-amino-4-phenylthiophene-3-carboxylate - CAS 4815-36-5
Catalog: |
BB026508 |
Product Name: |
Ethyl 2-amino-4-phenylthiophene-3-carboxylate |
CAS: |
4815-36-5 |
Synonyms: |
ethyl 2-amino-4-phenylthiophene-3-carboxylate |
IUPAC Name: | ethyl 2-amino-4-phenylthiophene-3-carboxylate |
Description: | Ethyl 2-amino-4-phenylthiophene-3-carboxylate (CAS# 4815-36-5) is used in the design and synthesis of thieno[2,3-d]pyrimidine analogs which exhibits antiproliferative activity against human cancer cells such as liver, pancreatic and colorectal cancer. |
Molecular Weight: | 247.31 |
Molecular Formula: | C13H13NO2S |
Canonical SMILES: | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)N |
InChI: | InChI=1S/C13H13NO2S/c1-2-16-13(15)11-10(8-17-12(11)14)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3 |
InChI Key: | WYTHTMKMOSPACP-UHFFFAOYSA-N |
Boiling Point: | 391 °C / 760 mmHg |
Density: | 1.231 g/cm3 |
Appearance: | Yellow crystalline |
Storage: | Keep in dark place. Sealed in dry. Keep cold. |
MDL: | MFCD00126391 |
LogP: | 3.75520 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021133915-A1 | Ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) modulators and uses thereof | 20191223 |
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EP-3898609-A1 | Compounds that interact with the ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease | 20181219 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.06669983 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.06669983 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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Thiophenes
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