Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
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Why this grade
Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C 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.
Übersicht
NSC781406 is a highly potent PI3K and mTOR inhibitor with an IC50 of 2 nM for PI3Kα.
Specifications
Spezifikationen & Reinheit
Moligand™, ≥99%
Biochemische und physiologische Mechanismen
NSC781406 is a highly potent PI3K and mTOR inhibitor with an IC 50 of 2 nM for PI3Kα .
Storage
Store at -20°C
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Note
Moligand™
Aktionsart
INHIBITOR
Reinheit
≥99%
Namen und Kennungen
| Pubchem Sid | 528766345 |
|---|---|
| Kanonisches Lächeln | COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C#CCN4CCN(CC4)S(=O)(=O)C)NS(=O)(=O)C5=C(C=C(C=C5)F)F |
| IUPAC Name | 2,4-difluoro-N-[2-methoxy-5-[4-[3-(4-methylsulfonylpiperazin-1-yl)prop-1-ynyl]quinolin-6-yl]pyridin-3-yl]benzenesulfonamide |
| InChIKey | BBRINJUWZRLWKK-UHFFFAOYSA-N |
| INCHI | 1S/C29H27F2N5O5S2/c1-41-29-27(34-43(39,40)28-8-6-23(30)18-25(28)31)17-22(19-33-29)21-5-7-26-24(16-21)20(9-10-32-26)4-3-11-35-12-14-36(15-13-35)42(2,37)38/h5-10,16-19,34H,11-15H2,1-2H3 |
| Isomere SMILES | COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C#CCN4CCN(CC4)S(=O)(=O)C)NS(=O)(=O)C5=C(C=C(C=C5)F)F |
| PubChem CID | 127025628 |
| Molekulargewicht | 627.68 |
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
- Klasse Quinolines and derivatives
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Klasse | Quinolines and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinolines and derivatives |
| Alternative Parents | Benzenesulfonamides Benzenesulfonyl compounds Alkyl aryl ethers N-alkylpiperazines Fluorobenzenes Pyridines and derivatives Organosulfonamides Organic sulfonamides Aryl fluorides Aminosulfonyl compounds Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzenesulfonamide - Quinoline - Benzenesulfonyl group - Alkyl aryl ether - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridine - Organic sulfonic acid amide - Organosulfonic acid amide - Aryl fluoride - Benzenoid - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Organopnictogen compound - Organohalogen compound - Amine - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. |
| External Descriptors | Not available |
3D-Struktur
Interaktives chemisches Strukturmodell
Zugehörige Ziele (menschlich)
PIK3CG Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (1 Activities)
PIK3CA Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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PIK3CB Tchem Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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PIK3CD Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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MTOR Tclin Serine/threonine-protein kinase mTOR (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
PIK3CD Tclin PI3-kinase p110-delta subunit (6699 Activities)
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MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)
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PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)
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PIK3CB Tchem PI3-kinase p110-beta subunit (4044 Activities)
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A498 (42825 Activities)
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ACHN (49357 Activities)
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CCRF-CEM (65223 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MCF7 (126967 Activities)
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MDA-MB-468 (9477 Activities)
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SK-MEL-2 (46422 Activities)
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SK-MEL-28 (48833 Activities)
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SK-MEL-5 (47095 Activities)
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SN12C (47755 Activities)
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U-251 (51189 Activities)
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786-0 (47912 Activities)
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A549 (127892 Activities)
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T47D (39041 Activities)
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EKVX (44102 Activities)
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NCI-H322M (45589 Activities)
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NCI-H460 (60772 Activities)
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MDA-MB-435 (38290 Activities)
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Malme-3M (44254 Activities)
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MDA-MB-231 (73002 Activities)
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NCI-H226 (44470 Activities)
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NCI-H23 (49055 Activities)
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NCI-H522 (44358 Activities)
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SR (39847 Activities)
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Zugehörige Ziele (nicht menschlich)
PIK3CA PI3-kinase p110-alpha subunit (51 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mus musculus (284745 Activities)
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Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Datum | Artikel |
|---|---|---|---|
 H2521594 | Certificate of Analysis | May 19, 2025 | N646310 |
| H2521595 | Certificate of Analysis | May 19, 2025 | N646310 |
| H2521596 | Certificate of Analysis | May 19, 2025 | N646310 |
| H2521597 | Certificate of Analysis | May 19, 2025 | N646310 |
Chemische und physikalische Eigenschaften
| Löslichkeit | DMSO : 150 mg/mL (238.98 mM; Need ultrasonic) |
|---|---|
| Molekulargewicht | 627.700 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Exact Mass | 627.142 Da |
| Monoisotopic Mass | 627.142 Da |
| Topological Polar Surface Area | 139.000 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1220.000 |
| 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 |
Lösungsrechner
Bewertungen
Kundenbewertungen
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