BTO-1 - Moligand™,≥97% , CAS No.40647-02-7

CAS: 40647-02-7 Cat. No.: B338594 Formule: C9H4N4O4S Poids moléculaire: 264.22 Numéro CE: 637-022-0
DISPONIBLE À COMMANDE
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
Synonyms
LP00190 | NCGC00185998-01 | 5-Cyano-7-nitro-3-oxy-benzothiazole-2-carboxylic acid amide | HY-112395 | HMS3229L17 | Tox21_500190 | SDCCGSBI-0207188.P002 | Polo-like Kinase Inhibitor II, BTO-1 | DTXSID50429520 | NCGC00185998-04 | HMS3260F21 | NCGC00185998-0
Storage
Store at 2-8°C
Shipped In
Wet ice
★
Size
Allemagne (EU)
USA*
Price
Qty
1mg
B338594-1mg
Sur commande · 8–12 semaines
60,65€
2mg
B338594-2mg
Sur commande · 8–12 semaines
145,69€
5mg
B338594-5mg
Sur commande · 8–12 semaines
164,78€
25mg
B338594-25mg
Sur commande · 8–12 semaines
364,36€
100mg
B338594-100mg
Sur commande · 8–12 semaines
1 041,20€
Enter a quantity for the sizes you want to add.
🧪
Why this grade

Moligand™,≥97% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Vue d’ensemble

BTO-1 is a cell-permeable benzothiazolo-N-oxide compound that targets the ATP-binding pocket of polo-like kinase and is shown to inhibit Plk1 kinase activity in cell-free kinase assays (IC|50|= 8.0 μM) and suppress the phosphorylation of cellular Plk1 substrate Cdc25C in rat kangaroo kidney-derived PTK cells (75% inhibition at 6.3 μM). BTO-1 treatment of cultured cells results in mitosis defects consistent with loss-of-Plk1 phenotypes seen in Plk1 RNAi-treated U20S cells, including the appearance of monopolar spindles and the reduction of γ-tubulin at the centrosomes. Plk1 inhibition by BTO-1 in HeLa cells results in a blockage of Rho and Rho-GEF recruitment, which is essential for the assembly of a functional contractile ring.

Specifications

Synonymes
LP00190 | NCGC00185998-01 | 5-Cyano-7-nitro-3-oxy-benzothiazole-2-carboxylic acid amide | HY-112395 | HMS3229L17 | Tox21_500190 | SDCCGSBI-0207188.P002 | Polo-like Kinase Inhibitor II, BTO-1 | DTXSID50429520 | NCGC00185998-04 | HMS3260F21 | NCGC00185998-0
Spécifications et pureté
Moligand™,≥97%
Conditions de stockage de stockage
Store at 2-8°C
Expédié en
Wet ice
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Grade
Moligand™
Type d'action
INHIBITOR
Pureté
≥97%
Noms et identifiants
Sourires canoniques
C1=C(C=C(C2=C1[N+](=C(S2)C(=O)N)[O-])[N+](=O)[O-])C#N
IUPAC Name
5-cyano-7-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxamide
InChIKey
FKRBAXZAJBBIAJ-UHFFFAOYSA-N
INCHI
1S/C9H4N4O4S/c10-3-4-1-5-7(6(2-4)13(16)17)18-9(8(11)14)12(5)15/h1-2H,(H2,11,14)
Isomères SMILES
C1=C(C=C(C2=C1[N+](=C(S2)C(=O)N)[O-])[N+](=O)[O-])C#N
WGK Allemagne
3
Poids moléculaire
264.22
Reaxy-Rn
555970
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=555970&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 →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseBenzothiazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzothiazoles
Alternative Parents Thiazolecarboxamides  Nitroaromatic compounds  2-heteroaryl carboxamides  Benzenoids  Heteroaromatic compounds  Primary carboxylic acid amides  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Nitriles  Azacyclic compounds  Organooxygen compounds  Organic salts  Organic oxides  Hydrocarbon derivatives  Organic cations  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1,3-benzothiazole - 2-heteroaryl carboxamide - Nitroaromatic compound - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - C-nitro compound - Primary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Cyanide - Organooxygen compound - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
ARSA Tbio Cerebroside-sulfatase (655 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
pfk 6-phospho-1-fructokinase (7870 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
SolubilitéSoluble in DMSO (5 mg/mL), and water (<2 mg/mL).
Poids moléculaire264.220 g/mol
XLogP31.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass263.995 Da
Monoisotopic Mass263.995 Da
Topological Polar Surface Area166.000 Ų
Heavy Atom Count18
Formal Charge0
Complexity430.000
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
Citations of This Product
Calculateurs de solution
Avis

Avis des clients

Souhaitez-vous que nous vous envoyions un message lorsque des réductions seront disponibles?

Me rappeler plus tard

Merci ! Veuillez vérifier votre boîte de réception e-mail pour confirmer.

Oups ! Les notifications sont désactivées.