2-Amino-4,6-dichloropyrimidine-5-carboxaldehyde - CAS 5604-46-6
Catalog: |
BB029242 |
Product Name: |
2-Amino-4,6-dichloropyrimidine-5-carboxaldehyde |
CAS: |
5604-46-6 |
Synonyms: |
2-amino-4,6-dichloropyrimidine-5-carbaldehyde |
IUPAC Name: | 2-amino-4,6-dichloropyrimidine-5-carbaldehyde |
Description: | 2-Amino-4,6-dichloropyrimidine-5-carboxaldehyde (CAS# 5604-46-6) is used to study the arylpiperazine derivatives of pyrazolotriazolopyrimidines as adenosine A2A receptor antagonists. |
Molecular Weight: | 192.00 |
Molecular Formula: | C5H3Cl2N3O |
Canonical SMILES: | C(=O)C1=C(N=C(N=C1Cl)N)Cl |
InChI: | InChI=1S/C5H3Cl2N3O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H,(H2,8,9,10) |
InChI Key: | GOJUJUVQIVIZAV-UHFFFAOYSA-N |
Boiling Point: | 411.6 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.688 g/cm3 |
MDL: | MFCD03001242 |
LogP: | 1.75930 |
GHS Hazard Statement: | H302 (88.89%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021099837-A1 | Adenosine receptor antagonist compounds | 20191119 |
WO-2021099838-A1 | Adenosine receptor antagonist compounds | 20191119 |
WO-2021011670-A1 | Adenosine a2a receptor antagonists and uses thereof | 20190717 |
WO-2020020097-A1 | Pyrazolotriazolopyrimidine derivatives as a2a receptor antagonist | 20180723 |
WO-2019196803-A1 | Pyrazolotriazolopyrimidine derivatives as a2a receptor antagonist | 20180408 |
PMID | Publication Date | Title | Journal |
29596660 | 20180601 | Metabolic Activation of the Cooked Meat Carcinogen 2-Amino-1-Methyl-6-Phenylimidazo[4,5-b]Pyridine in Human Prostate | Toxicological sciences : an official journal of the Society of Toxicology |
27644595 | 20161101 | Aryl hydrocarbon receptor activation and CYP1A induction by cooked food-derived carcinogenic heterocyclic amines in human HepG2 cell lines | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
24150799 | 20140415 | Selective TBK1/IKKi dual inhibitors with anticancer potency | International journal of cancer |
24373723 | 20140115 | Synthesis and biological evaluation of 2-aminothiazole derivatives as antimycobacterial and antiplasmodial agents | Bioorganic & medicinal chemistry letters |
24099149 | 20131114 | Structure-activity-relationship studies around the 2-amino group and pyridine core of antimalarial 3,5-diarylaminopyridines lead to a novel series of pyrazine analogues with oral in vivo activity | Journal of medicinal chemistry |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.9653171 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.9653171 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS