4-Morpholin-4-yl-but-2-enoic Acid Hydrochloride - CAS 1807940-64-2
Catalog: |
BB056644 |
Product Name: |
4-Morpholin-4-yl-but-2-enoic Acid Hydrochloride |
CAS: |
1807940-64-2 |
Synonyms: |
(E)-4-morpholinobut-2-enoic Acid Hydrochloride |
IUPAC Name: | (E)-4-morpholin-4-ylbut-2-enoic acidhydrochloride |
Description: | 4-Morpholin-4-yl-but-2-enoic Acid Hydrochloride is a reagent used in the preparation of pyridine derivatives as histone methyltransferase EZH2 inhibitors. |
Molecular Weight: | 171.20 + 36.46 |
Molecular Formula: | C8H13NO3·HCl |
Canonical SMILES: | C1COCCN1CC=CC(=O)O.Cl |
InChI: | InChI=1S/C8H13NO3.ClH/c10-8(11)2-1-3-9-4-6-12-7-5-9/h1-2H,3-7H2,(H,10,11)1H/b2-1+ |
InChI Key: | DQELLWQXAROXTC-TYYBGVCCSA-N |
References: | Si, J. et al. PCT Int. Appl. (2018). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/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-2019058132-A1 | HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF KINASE CDK12 | 20170922 |
EP-3684776-A1 | Heterocyclyl substituted pyrrolopyridines that are inhibitors of the cdk12 kinase | 20170922 |
US-2020247824-A1 | Heterocyclyl substituted pyrrolopyridines that are inhibitors of the cdk12 kinase | 20170922 |
US-2019345139-A1 | Histone methyltransferase ezh2 inhibitor, preparation method and pharmaceutical use thereof | 20170125 |
US-11214561-B2 | Histone methyltransferase EZH2 inhibitor, preparation method and pharmaceutical use thereof | 20170125 |
ES-2657955-T3 | Heterocyclic compound containing nitrogen or salt thereof | 20120417 |
MX-2014012097-A | HETEROCICLIC COMPOUND CONTAINING NITROGEN OR SALT OF THE SAME. | 20120417 |
RU-2632253-C2 | Nitrogen-containing heterocyclic compound or its salt | 20120417 |
BR-112014025564-B1 | heterocyclic compound containing nitrogen or salt, pharmaceutical composition and use thereof | 20120417 |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 207.066221 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.066221 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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