6-Aminonicotinamide - CAS 329-89-5
Catalog: |
BB021507 |
Product Name: |
6-Aminonicotinamide |
CAS: |
329-89-5 |
Synonyms: |
6-aminopyridine-3-carboxamide |
Application: |
Teratogens |
IUPAC Name: | 6-aminopyridine-3-carboxamide |
Description: | 6-Aminonicotinamide (6-AN) is a well-established inhibitor of the NADP+-dependent enzyme, 6-phosphogluconate dehydrogenase (Ki = 0.46 μM). 6-Aminonicotinamide is a PGD inhibitor and apoptosis inducer. |
Molecular Weight: | 137.14 |
Molecular Formula: | C6H7N3O |
Canonical SMILES: | C1=CC(=NC=C1C(=O)N)N |
InChI: | InChI=1S/C6H7N3O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10) |
InChI Key: | ZLWYEPMDOUQDBW-UHFFFAOYSA-N |
Boiling Point: | 381.6 °C at 760 mmHg |
Melting Point: | 245-248 °C |
Purity: | 95 % |
Density: | 1.323 g/cm3 |
Solubility: | less than 1 mg/mL at 66 °F |
Appearance: | White crystalline solid. |
MDL: | MFCD00006327 |
LogP: | 1.04420 |
GHS Hazard Statement: | H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity] |
Precautionary Statement: | P203, P280, P318, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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CN-112063681-A | Chemical development toxicity prediction method, prediction model, construction method and application thereof | 20200908 |
CN-111616970-A | A cosmetic containing recombinant human auxin liposome and its preparation method | 20200629 |
CN-111643394-A | Cosmetic emulsion containing beta-nicotinamide mononucleotide and preparation method thereof | 20200629 |
KR-102287072-B1 | Pharmaceutical composition for treating brain tumor | 20191231 |
PMID | Publication Date | Title | Journal |
30821613 | 20190901 | Targetome analysis of chaperone-mediated autophagy in cancer cells | Autophagy |
27324791 | 20170701 | Glucose Metabolism and AMPK Signaling Regulate Dopaminergic Cell Death Induced by Gene (α-Synuclein)-Environment (Paraquat) Interactions | Molecular neurobiology |
25246272 | 20140901 | Glycogen synthase kinase 3 regulates cell death and survival signaling in tumor cells under redox stress | Neoplasia (New York, N.Y.) |
24154490 | 20140101 | A high-throughput screen for teratogens using human pluripotent stem cells | Toxicological sciences : an official journal of the Society of Toxicology |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.058911855 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.058911855 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 82 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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