5-(Boc-amino)-2-methoxyisonicotinic Acid - CAS 183741-86-8
Catalog: |
BB014092 |
Product Name: |
5-(Boc-amino)-2-methoxyisonicotinic Acid |
CAS: |
183741-86-8 |
Synonyms: |
2-methoxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pyridinecarboxylic acid; 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid |
IUPAC Name: | 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid |
Description: | 5-(Boc-amino)-2-methoxyisonicotinic Acid (CAS# 183741-86-8) is a useful research chemical. |
Molecular Weight: | 268.27 |
Molecular Formula: | C12H16N2O5 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CN=C(C=C1C(=O)O)OC |
InChI: | InChI=1S/C12H16N2O5/c1-12(2,3)19-11(17)14-8-6-13-9(18-4)5-7(8)10(15)16/h5-6H,1-4H3,(H,14,17)(H,15,16) |
InChI Key: | YSPBACAUWGFVRJ-UHFFFAOYSA-N |
Boiling Point: | 415 ℃ at 760 mmHg |
Density: | 1.288 g/cm3 |
Appearance: | Powder |
MDL: | MFCD07437869 |
LogP: | 2.20840 |
Publication Number | Title | Priority Date |
WO-2020071550-A1 | Cdk8 inhibitor and use of same | 20181004 |
JP-WO2020071550-A1 | CDK8 Inhibitors and Their Applications | 20181004 |
AU-2018325445-A1 | Ectonucleotide pyrophosphatase-phosphodiesterase 1 (ENPP-1) inhibitors and uses thereof | 20170831 |
CA-3074013-A1 | Ectonucleotide pyrophosphatase-phosphodiesterase 1 (enpp-1) inhibitors and uses thereof | 20170831 |
KR-20200047627-A | Ectonucleotide pyrophosphatase-phosphodiesterase 1 (ENPP-1) inhibitors and uses thereof | 20170831 |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.10592162 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.10592162 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 97.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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