BC-23 - Moligand™, ≥98% , CAS No.6298-15-3

Name: BC-23 - Moligand™, ≥98% , CAS No.6298-15-3
Brand: Aladdin Scientific
SKU: C668187
Availability: InStock

CAS: 6298-15-3 Cat. No.: C668187 Formula: C₂₁H₁₄ClN₃O₄S Peso molecolare: 439.87

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BC-23 - Moligand™, ≥98% CAS No(6298-15-3) by Aladdin Scientific

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QUALITÀ & PUREZZA Moligand™ ? ≥98%

Synonyms

BC-23|4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-N-pyridin-2-ylbenzenesulfonamide|4-[(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)amino]-N-(2-pyridinyl)benzenesulfonamide|4-((3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)amino)-N-(2-pyridinyl)benzenesulfonamide|Benzenesulfonamide, 4-(3-chloro-1,4-naphthoquinon-2-ylamino)-N-pyridin-2-yl-|4-[(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)amino]-N-(2-pyridinyl)benzenesulfonamide #|4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-N-(pyridin-2-yl)benzene-1-sulfonamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Scheda delle specifiche

Specifiche Proprietà del prodotto Nomi e identificatori Dati avanzati Taxonomic Classification Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Calcolatori di soluzioni Recensioni

Specifiche

Sinonimi

Specifiche e purezza

Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Purezza

≥98%

Proprietà del prodotto

ALogP

3.8

Nomi e identificatori

Pubchem Sid

528763396

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528763396

Sorrisi canonici

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4

IUPAC Name

4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-N-pyridin-2-ylbenzenesulfonamide

InChIKey

QRPKNPKHGNUFGK-UHFFFAOYSA-N

INCHI

1S/C21H14ClN3O4S/c22-18-19(21(27)16-6-2-1-5-15(16)20(18)26)24-13-8-10-14(11-9-13)30(28,29)25-17-7-3-4-12-23-17/h1-12,24H,(H,23,25)

Isomeri SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4

Peso molecolare

439.87

Dati avanzati

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Naphthalenes
    - Subclass Naphthoquinones

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Naphthalenes
Subclass	Naphthoquinones
Intermediate Tree Nodes	Not available
Direct Parent	Naphthoquinones
Alternative Parents	Aminobenzenesulfonamides Benzenesulfonyl compounds Aniline and substituted anilines Aryl ketones Quinones Secondary alkylarylamines Pyridines and derivatives Imidolactams Organosulfonamides Vinylogous halides Heteroaromatic compounds Alpha-chloroketones Vinylogous amides Aminosulfonyl compounds Enamines Chloroalkenes Azacyclic compounds Vinyl chlorides Organic oxides Hydrocarbon derivatives Organochlorides Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Naphthoquinone - Aminobenzenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Aryl ketone - Quinone - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Organosulfonic acid amide - Imidolactam - Monocyclic benzene moiety - Pyridine - Alpha-chloroketone - Organic sulfonic acid or derivatives - Vinylogous amide - Vinylogous halide - Sulfonyl - Alpha-haloketone - Organosulfonic acid or derivatives - Aminosulfonyl compound - Heteroaromatic compound - Ketone - Enamine - Azacycle - Chloroalkene - Haloalkene - Secondary amine - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Descrizione	This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Struttura 3D

Obiettivi associati (umani)

CYP2C19 Tchem Cytochrome P450 2C19 (1 Activities)

Discover Target: CYP2C19

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

Discover Target: ALOX12

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Data	Oggetto
F2523409	Certificate of Analysis	Dec 11, 2024	C668187
F2523436	Certificate of Analysis	Dec 11, 2024	C668187
F2523449	Certificate of Analysis	Dec 11, 2024	C668187
F2523453	Certificate of Analysis	Dec 11, 2024	C668187
F2523456	Certificate of Analysis	Dec 11, 2024	C668187
F2523459	Certificate of Analysis	Dec 11, 2024	C668187
F2523461	Certificate of Analysis	Dec 11, 2024	C668187
F2523464	Certificate of Analysis	Dec 11, 2024	C668187
F2523466	Certificate of Analysis	Dec 11, 2024	C668187
F2523478	Certificate of Analysis	Dec 11, 2024	C668187
F2523480	Certificate of Analysis	Dec 11, 2024	C668187

Peso molecolare	439.900 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	439.039 Da
Monoisotopic Mass	439.039 Da
Topological Polar Surface Area	114.000 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	815.000
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

BC-23 - Moligand™, ≥98% , CAS No.6298-15-3

Specifiche

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