Determine the necessary mass, volume, or concentration for preparing a solution.
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NSC727447 - Moligand™,≥98% , CAS No.40106-12-5
AVAILABLE TO ORDER
224,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items
Why this grade
Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Protected from light,Store at -20°C,Argon charged,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
NSC727447 is an inhibitor of ribonuclease H (Rnase H) of HIV-1 and HIV-2. NSC727447 has little activity against E. coli RNase H, but great selectivity over human Rnase H.
Storage
Protected from light, Store at -20°C, Argon charged, Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Purity
≥98%
Names and Identifiers
| Canonical Smiles | C1CCC2=C(CC1)SC(=C2C(=O)N)N |
|---|---|
| IUPAC Name | 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide |
| InChIKey | LULYZYNTDPUEKK-UHFFFAOYSA-N |
| INCHI | 1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13) |
| Isomeric SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N)N |
| WGK Germany | 3 |
| Molecular Weight | 210.30 |
| Reaxy-Rn | 1369807 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1369807&ln= |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Class Cycloheptathiophenes
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Cycloheptathiophenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cycloheptathiophenes |
| Alternative Parents | 3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxamides Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cycloheptathiophene - 3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2-aminothiophene - Thiophene - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Primary carboxylic acid amide - Amino acid or derivatives - Carboxylic acid derivative - Amine - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cycloheptathiophenes. These are polycyclic compounds containing a thiophene ring fused to a 7 member carbocyclic moiety. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Associated Targets(Human)
VDR Tclin Vitamin D receptor (26531 Activities)
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
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CEM-SS (2428 Activities)
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HEK293 (82097 Activities)
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HepG2 (196354 Activities)
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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
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POLI Tchem DNA polymerase iota (116820 Activities)
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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
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ANO1 Tclin Anoctamin-1 (229 Activities)
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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
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Associated Targets(non-human)
pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)
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Cruzipain (33337 Activities)
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Mapk1 MAP kinase ERK2 (650 Activities)
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Pseudomonas aeruginosa (123386 Activities)
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Klebsiella pneumoniae (43867 Activities)
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Staphylococcus aureus (210822 Activities)
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Acinetobacter baumannii (41033 Activities)
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Escherichia coli (133304 Activities)
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Plasmodium falciparum (966862 Activities)
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Cryptococcus neoformans (21258 Activities)
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Candida albicans (78123 Activities)
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Human immunodeficiency virus 1 (70413 Activities)
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Luciferin 4-monooxygenase (66902 Activities)
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pfk 6-phospho-1-fructokinase (7870 Activities)
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ddn Putative uncharacterized protein (49 Activities)
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Mapt Microtubule-associated protein tau (6 Activities)
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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
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NS1 Nonstructural protein 1 (33327 Activities)
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Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Solubility | DMSO: >10 mg/mL |
|---|---|
| Molecular Weight | 210.300 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 210.083 Da |
| Monoisotopic Mass | 210.083 Da |
| Topological Polar Surface Area | 97.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 234.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Documents & Articles
Solution Calculators
Reviews
Customer Reviews
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