4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid - CAS 841222-62-6
Catalog: |
BB037134 |
Product Name: |
4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid |
CAS: |
841222-62-6 |
Synonyms: |
4-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid; 4-methylthieno[3,2-b]pyrrole-5-carboxylic acid |
IUPAC Name: | 4-methylthieno[3,2-b]pyrrole-5-carboxylic acid |
Description: | 4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic Acid can be used as lysine-specific demethylase-1 inhibitors for treatment of cancer. |
Molecular Weight: | 181.21 |
Molecular Formula: | C8H7NO2S |
Canonical SMILES: | CN1C2=C(C=C1C(=O)O)SC=C2 |
InChI: | InChI=1S/C8H7NO2S/c1-9-5-2-3-12-7(5)4-6(9)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | TZHAUWSWUZWKLK-UHFFFAOYSA-N |
Boiling Point: | 398.9 °C at 760 mmHg |
Melting Point: | 154 °C |
Purity: | 95 % |
Density: | 1.47 g/cm3 |
LogP: | 1.93800 |
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-2021100699-A1 | Black particles, black coating material, coating film, and black matrix for color filters | 20191118 |
EP-3668877-A1 | Indole derivatives as histone demethylase inhibitors | 20170818 |
WO-2019034774-A1 | INDOLE DERIVATIVES AS HISTONE DEM ETHYLASE INHIBITORS | 20170818 |
US-2020289463-A1 | Indole derivatives as histone demethylase inhibitors | 20170818 |
US-10980777-B2 | Indole derivatives as histone demethylase inhibitors | 20170818 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.01974964 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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