Y06036 - 10mM in DMSO , CAS No.1832671-96-1

CAS: 1832671-96-1 Cat. No.: Y422252 Formula: C16H15BrN2O5S Peso molecolare: 427.27 PubChem CID: 134159768
Disponibile su ordine
GRADE & PURITY 10mM in DMSO
Synonyms
Benzenesulfonamide,5-​bromo-​2-​methoxy-​N-​(6-​methoxy-​3-​methyl-​1,​2-​benzisoxazol-​5-​yl)​-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
Germania (EU)
USA*
Price
Qty
1ml
Y422252-1ml
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2 Disponibile

143,09€

209,91€
Salva 66,82 € (31.83%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Panoramica

Information

Y06036 Y06036 (Compound 6i) is a potent and selective inhibitor of BET with antitumor activity. Y06036 binds to the BRD4(1) bromodomain with Kd of 82 nM.

Targets

BET ; BRD4 (1) (Cell-free assay) ; 82 nM(Kd)

Specifications

Sinonimi
Benzenesulfonamide,5-​bromo-​2-​methoxy-​N-​(6-​methoxy-​3-​methyl-​1,​2-​benzisoxazol-​5-​yl)​-
Specifiche e purezza
10mM in DMSO
Meccanismi biochimici e fisiologici
Y06036 (Compound 6i) is a potent and selective inhibitor of BET with antitumor activity. Y06036 binds to the BRD4(1) bromodomain with Kd of 82 nM.
Condizioni di conservazione di stoccaggio
Store at -80°C
Spedito in
Dry ice packs + Cold packs
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Proprietà del prodotto
ALogP2.969
Conteggio HBD1
Legame rotabile5
Nomi e identificatori
Pubchem Sid528768524
Sorrisi canoniciCC1=NOC2=CC(=C(C=C12)NS(=O)(=O)C3=C(C=CC(=C3)Br)OC)OC
IUPAC Name5-bromo-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide
InChIKeyKVGNGFGTOSOVPB-UHFFFAOYSA-N
INCHI1S/C16H15BrN2O5S/c1-9-11-7-12(15(23-3)8-14(11)24-18-9)19-25(20,21)16-6-10(17)4-5-13(16)22-2/h4-8,19H,1-3H3
Isomeri SMILES CC1=NOC2=CC(=C(C=C12)NS(=O)(=O)C3=C(C=CC(=C3)Br)OC)OC
PubChem CID 134159768
Peso molecolare 427.27

Documentazione

📋 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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassSulfanilides
Intermediate Tree Nodes Not available
Direct ParentSulfanilides
Alternative Parents Benzenesulfonamides  Methoxyanilines  Benzisoxazoles  Benzenesulfonyl compounds  Phenoxy compounds  Methoxybenzenes  Anisoles  Bromobenzenes  Alkyl aryl ethers  Organosulfonamides  Aryl bromides  Isoxazoles  Heteroaromatic compounds  Aminosulfonyl compounds  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Sulfanilide - Benzenesulfonamide - Benzenesulfonyl group - Methoxyaniline - Benzisoxazole - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Halobenzene - Bromobenzene - Alkyl aryl ether - Organosulfonic acid amide - Aryl halide - Aryl bromide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Isoxazole - Azole - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
BRD4 Tchem Bromodomain-containing protein 4 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
DU-145 (51482 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H1975 (4994 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hs-578T (29457 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LNCaP (8286 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MV4-11 (7307 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CWR22R (2180 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HFL1 (586 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EP300 Tchem Histone acetyltransferase p300 (1259 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KAT2B Tchem Histone acetyltransferase PCAF (884 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CREBBP Tchem CREB-binding protein (1602 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD2 Tchem Bromodomain-containing protein 2 (1296 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRDT Tchem Bromodomain testis-specific protein (576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD3 Tchem Bromodomain-containing protein 3 (1086 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD1 Tchem Bromodomain-containing protein 1 (256 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD9 Tchem Bromodomain-containing protein 9 (684 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TAF1 Tchem Transcription initiation factor TFIID subunit 1 (441 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ASH1L Tbio Histone-lysine N-methyltransferase ASH1L (468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LNCaP C4-2B (271 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
DMSO (mg/mL) Solubilità massima85
DMSO (mM) Solubilità massima198.937440026213
Acqua (mg/mL) Solubilità massima<1
Peso molecolare427.300 g/mol
XLogP33.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass425.989 Da
Monoisotopic Mass425.989 Da
Topological Polar Surface Area99.000 Ų
Heavy Atom Count25
Formal Charge0
Complexity557.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calcolatori di soluzioni
Recensioni

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