kb-NB142-70 - Moligand™, ≥98% , Inhibitor of protein kinase D1, CAS No.1233533-04-4, Inhibitor of protein kinase D1

CAS: 1233533-04-4 Cat. No.: N275808 Molecular Weight: 251.33
AVAILABLE TO ORDER
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. ≥98%
Synonyms
9-hydroxy-3,4-dihydrobenzo[4,5]thieno[2,3-f][1,4]thiazepin-5(2H)-one | BDBM50336960 | DHUAGGSHTKPOHU-UHFFFAOYSA-N | kb NB 142-70 | HY-15528 | GTPL9369 | 9-Hydroxy-3,4-dihydro-2H-[1]-benzothiolo[2,3-f][1,4]thiazepin-5-one | 9-hydroxy-3,4-dihydro-2H-[1]benz
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
N275808-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$116.90
10mg
N275808-10mg
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$188.90
25mg
N275808-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$425.90
50mg
N275808-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$841.90
100mg
N275808-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,199.90

$1,515.90
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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

Overview

Store at Room Temperature. The product can be stored for up to 12 months.


product description:

kb NB 142-70 is a selective protein kinase D (PKD) inhibitor (IC50 values are 28.3, 58.7 and 53.2 nM for PKD1, 2 and 3 respectively). Kb NB 142-70 inhibits prostate cancer cell migration and invasion and reduces wound healing in vitro. Kb NB 142-70 displays prominent cytotoxic and anti-proliferative effects.

Specifications

Synonyms
9-hydroxy-3, 4-dihydrobenzo[4, 5]thieno[2, 3-f][1, 4]thiazepin-5(2H)-one | BDBM50336960 | DHUAGGSHTKPOHU-UHFFFAOYSA-N | kb NB 142-70 | HY-15528 | GTPL9369 | 9-Hydroxy-3, 4-dihydro-2H-[1]-benzothiolo[2, 3-f][1, 4]thiazepin-5-one | 9-hydroxy-3, 4-dihydro-2H-[1]benz
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Selective protein kinase D inhibitor (IC 50 values are 28.3, 58.7 and 53.2 nM for PKD1, 2 and 3 respectively). Inhibits prostrate cancer cell migration and invasion and reduces wound healing in vitro. Cytotoxic and anti-proliferative.kb-NB142-70 is a deri
Storage
Store at -20°C
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
Mechanism of action
Inhibitor of protein kinase D1
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥98%
Names and Identifiers
Canonical SmilesC1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O
IUPAC Name9-hydroxy-3,4-dihydro-2H-[1]benzothiolo[2,3-f][1,4]thiazepin-5-one
InChIKeyDHUAGGSHTKPOHU-UHFFFAOYSA-N
INCHI1S/C11H9NO2S2/c13-6-1-2-8-7(5-6)9-10(16-8)11(14)12-3-4-15-9/h1-2,5,13H,3-4H2,(H,12,14)
Isomeric SMILES C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O
Molecular Weight 251.33
Reaxy-Rn 21204489
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21204489&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
ClassBenzothiophenes
Subclass1-benzothiophenes
Intermediate Tree Nodes Not available
Direct Parent1-benzothiophenes
Alternative Parents 2-heteroaryl carboxamides  Alkylarylthioethers  1-hydroxy-2-unsubstituted benzenoids  Vinylogous thioesters  Thiophenes  Heteroaromatic compounds  Secondary carboxylic acid amides  Lactams  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1-benzothiophene - 2-heteroaryl carboxamide - Aryl thioether - Phenol - Alkylarylthioether - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous thioester - Benzenoid - Heteroaromatic compound - Thiophene - Lactam - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Thioether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PRKD1 Tchem Serine/threonine-protein kinase D1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PRKD1 Tchem Protein kinase C mu (1904 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRKCA Tchem Protein kinase C alpha (5923 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CAMK2A Tchem CaM kinase II alpha (1938 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK7 Tchem Cyclin-dependent kinase 7 (1512 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLK2 Tchem Serine/threonine-protein kinase PLK2 (1028 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Prkcd Protein kinase C delta (192 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Prkcb Protein kinase C beta (2 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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
SolubilitySoluble in DMSO to 100 mM
Molecular Weight251.300 g/mol
XLogP32.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass251.007 Da
Monoisotopic Mass251.007 Da
Topological Polar Surface Area103.000 Ų
Heavy Atom Count16
Formal Charge0
Complexity300.000
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
Solution Calculators
Reviews

Customer Reviews

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