BDP9066 - ≥98% , CAS No.2226507-04-4

CAS: 2226507-04-4 Cat. No.: B651933 Molecular Weight: 348.44 PubChem CID: 132275018

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

BDP9066 is a potent and selective myotonic dystrophy-related Cdc42-binding kinase MRCK inhibitor with an IC 50 of 64 nM for MRCKβ in SCC12 cells, K i values of 0.0136 nM and 0.0233 nM for MRCKα/β in house determinations, respectively. BDP9066 has therapeutic effect on skin cancer by reducing substrate phosphorylation.

In Vitro

BDP9066 shows antiproliferative effects with greatest activity in hematologic cancer cells. BDP9066 inhibits MLC phosphorylation and blocks SCC12 squamous cell carcinoma motility and invasion. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

BDP9066 topical application significantly decreases phosphorylated MRCKα S1003 staining and tumor volumes . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 64 nM (MRCKβ in SCC12 cells), Ki: 0.0136 nM/0.0233 nM (MRCKα/β)

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

BDP9066 is a potent and selective myotonic dystrophy-related Cdc42-binding kinase MRCK inhibitor with an IC 50 of 64 nM for MRCKβ in SCC12 cells, K i values of 0.0136 nM and 0.0233 nM for MRCKα/β in house determinations, respectively. BDP9066 has therapeu

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.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CCNC2(C1)CCCN(C2)C3=C4C(=CNC4=NC=C3)C5=NC=NC=C5
• IUPAC Name: (6S)-8-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane
• InChIKey: UELSMLDRSQFVHG-FQEVSTJZSA-N
• INCHI: 1S/C20H24N6/c1-2-8-25-20(6-1)7-3-11-26(13-20)17-5-10-22-19-18(17)15(12-23-19)16-4-9-21-14-24-16/h4-5,9-10,12,14,25H,1-3,6-8,11,13H2,(H,22,23)/t20-/m0/s1
• PubChem CID: 132275018
• MeSH Entry Terms: (6S)-8-(3-(4-Pyrimidinyl)-7H-pyrrolo(2,3-b)pyridin-4-yl)-1,8-diazaspiro(5.5)undecane;1,8-Diazaspiro(5.5)undecane, 8-(3-(4-pyrimidinyl)-7H-pyrrolo(2,3-b)pyridin-4-yl)-, (6S)-;BDP9066
• Molecular Weight: 348.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azaspirodecane derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azaspirodecane derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azaspirodecane derivatives
• Alternative Parents: Pyrrolopyridines Dialkylarylamines Aminopyridines and derivatives Substituted pyrroles Pyrimidines and pyrimidine derivatives Piperidines Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Azaspirodecane - Pyrrolopyridine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Substituted pyrrole - Pyrimidine - Pyridine - Piperidine - Heteroaromatic compound - Pyrrole - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Solubility: DMSO : 10 mg/mL (28.70 mM; Need ultrasonic)
• Molecular Weight: 348.400 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 348.206 Da
• Monoisotopic Mass: 348.206 Da
• Topological Polar Surface Area: 69.700 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 487.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

References

1. Sufang Xu, Xin Zhang, Jingru Sun, Man Qin, Huarong Du, Bing Luo.  (2026)  Macrophage-Derived Transcriptional Signatures Predict Prognosis and Drug Sensitivity in Thyroid Cancer: Integrative Analysis and Experimental Validation of SMYD3.  ImmunoTargets and Therapy,      [PMID:] [10.2147/ITT.S565624]