6054-16-6

Basic information

• Product Name: NSC45401
• Synonyms: NSC45401;3-Oxabicyclo[3.2.1]octane-2,4-dione;Norcamphoric anhydride
• CAS NO: 6054-16-6
• Molecular Formula: C₇H₈O₃
• Molecular Weight: 140.137
• Mol File: 6054-16-6.mol
• Article Data: 10

Chemical Properties

• Melting Point: 161 °C
• Boiling Point: 289.2°C at 760 mmHg
• Flash Point: 140.4°C
• Appearance: /
• Density: 1.309
• Vapor Pressure: 0.00223mmHg at 25°C
• Refractive Index: 1.513
• CAS DataBase Reference: NSC45401(CAS DataBase Reference)
• NIST Chemistry Reference: NSC45401(6054-16-6)
• EPA Substance Registry System: NSC45401(6054-16-6)

Safety Data

• Hazardous Substances Data: 6054-16-6(Hazardous Substances Data)

Usage

General Description

NSC45401, also known as ethyl 2-((4-(((3,5-dimethylisoxazol-4-yl)methyl)amino)phenyl)thiazole-4-carboxylate, is a chemical compound with potential antineoplastic and anti-HIV activity. It has been studied for its inhibitory effects on the HIV-1 integrase and reverse transcriptase enzymes, as well as its ability to induce apoptosis in cancer cells. NSC45401 has shown promise as a potential therapeutic agent in the treatment of both HIV and certain types of cancer, making it a subject of interest for further research and development.

InChI:InChI=1/C7H8O3/c8-6-4-1-2-5(3-4)7(9)10-6/h4-5H,1-3H2

Upstream product

• 498-66-8 norborn-2-ene 
• 876-05-1 cis-1,3-cyclopentanedicarboxylic acid 
• 826-02-8 cis-cyclopentane-1,3-dicarboxylic acid 
• 498-66-8 norbornene 
• 855753-59-2 cyclopentane-1,1,3,3-tetracarboxylic acid 

Downstream Products

• 1098881-13-0 (1R,3S)-3-(methoxycarbonyl)cyclopentane-1-carboxylic acid 
• 84545-00-6 (+/-)-(1S,3R)-3-(methoxycarbonyl)cyclopentanecarboxylic acid 
• 116891-16-8 (+/-)-1--5-methyl-2,4(1H,3H)-pyrimidinedione benzoate 

Relevant articles and documents

TREK Channel Family Activator with a Well-Defined Structure-Activation Relationship for Pain and Neurogenic Inflammation

TWIK-related K+ (TREK) channels are potential analgesic targets. However, selective activators for TREK with both defined action mechanism and analgesic ability for chronic pain have been lacking. Here, we report (1S,3R)-3-((4-(6-methylbenzo[d]

Conformational Restriction and Enantioseparation Increase Potency and Selectivity of Cyanoguanidine-Type Histamine H4 Receptor Agonists

2-Cyano-1-[4-(1H-imidazol-4-yl)butyl]-3-[2-(phenylsulfanyl)ethyl]guanidine (UR-PI376, 1) is a potent and selective agonist of the human histamine H4 receptor (hH4R). To gain information on the active conformation, we synthesized analogues of 1 with a cyclopentane-1,3-diyl linker. Affinities and functional activities were determined at recombinant hHxR (x: 1-4) subtypes on Sf9 cell membranes (radioligand binding, [35S]GTPγS, or GTPase assays) and in part in luciferase assays on human or mouse H4R (HEK-293 cells). The most potent H4R agonists among 14 racemates were separated by chiral HPLC, yielding eight enantiomerically pure compounds. Configurations were assigned based on X-ray structures of intermediates and a stereocontrolled synthetic pathway. (+)-2-Cyano-1-{[trans-(1S,3S)-3-(1H-imidazol-4-yl)cyclopentyl]methyl}-3-[2-(phenylsulfanyl)ethyl]guanidine ((1S,3S)-UR-RG98, 39a) was the most potent H4R agonist in this series (EC50 11 nM; H4R vs H3R, >100-fold selectivity; H1R, H2R, negligible activities), whereas the optical antipode proved to be an H4R antagonist ([35S]GTPγS assay). MD simulations confirmed differential stabilization of the active and inactive H4R state by the enantiomers.

Synthesis and antiviral activities of some novel carbocyclic nucleosides

cis-3-Aminomethylcyclopentylmethanol (4), prepared from norbornene (5) in four steps and 51% overall yield, was used as a precursor in the synthesis of carbocylic nucleosides 13 - 18 containing guanine and 8-azaguanine bases. None of these compounds had a