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XMD8-92 - ≥97%, high purity , CAS No.1234480-50-2, Inhibitor of doublecortin like kinase 2;Inhibitor of mitogen-activated protein kinase 7;Inhibitor of polo like kinase 4;Inhibitor of tyrosine kinase non receptor 1

COA COA
In stock
Item Number
X125609
Grouped product items
SKU Size
Availability
 Price Qty
X125609-1mg
1mg
3
$14.90
X125609-5mg
5mg
3
$60.90
X125609-10mg
10mg
2
$85.90
X125609-50mg
50mg
2
$296.90
X125609-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$494.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

ERK5/BMK1 inhibitor; also BRD4 inhibitor

View related series
doublecortin like kinase 2 Inhibitor (3) Epigenetic Reader Domain (314) Epigenetics (1496) ERK (132) MAPK/ERK Pathway (546) mitogen-activated protein kinase 7 Inhibitor (8) polo like kinase 4 Inhibitor (6) Stem Cell/Wnt (1019) tyrosine kinase non receptor 1 Inhibitor (2)

Basic Description

Synonyms BCP03605 | F1908-0144 | J-004942 | 4WG | SMR001913504 | XMD 8-92 | CCG-269488 | 2-[[2-Ethoxy-4-(4-hydroxy-1-piperidyl)phenyl]amino]-5,11-dimethyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one | NCGC00250385-11 | Q27089252 | BP-25377 | SW209502-2 | XM
Specifications & Purity Moligand™, ≥97%
Biochemical and Physiological Mechanisms ERK5 (BMK1) and BRD4 inhibitor (Kdvalues are 80 and 190 nM, respectively). Also inhibits DCAMKL2, PLK4 and TNK1 (Kdvalues are 190, 600 and 890 nM). Blocks growth factor-induced activation of cellular BMK1 and reduces BMK1 activity inin vitrokinase assays.
Storage Temp 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 doublecortin like kinase 2;Inhibitor of mitogen-activated protein kinase 7;Inhibitor of polo like kinase 4;Inhibitor of tyrosine kinase non receptor 1
Product Description

XMD8-92 has been used as a specific extracellular signal regulated kinase 5 (ERK5) inhibitor in human umbilical vein endothelial cells (HUVECs) culture.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Piperidines
Subclass Phenylpiperidines
Intermediate Tree Nodes Not available
Direct Parent Phenylpiperidines
Alternative Parents Alkyldiarylamines  1,4-benzodiazepines  Pyrimidodiazepines  Aminophenyl ethers  Aniline and substituted anilines  Dialkylarylamines  Phenoxy compounds  1,4-diazepines  Aminopyrimidines and derivatives  Alkyl aryl ethers  Imidolactams  Heteroaromatic compounds  Vinylogous amides  Tertiary carboxylic acid amides  Lactams  Amino acids and derivatives  Secondary alcohols  Azacyclic compounds  Secondary amines  Organic oxides  Hydrocarbon derivatives  Organopnictogen compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Phenylpiperidine - Alkyldiarylamine - Pyrimidodiazepine - Benzodiazepine - 1,4-benzodiazepine - Aminophenyl ether - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Para-diazepine - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Vinylogous amide - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Secondary alcohol - Tertiary amine - Lactam - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Ether - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
External Descriptors pyrimidobenzodiazepine

Associated Targets(Human)

DCLK2 Tchem Serine/threonine-protein kinase DCLK2 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
TNK1 Tchem Non-receptor tyrosine-protein kinase TNK1 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PLK4 Tchem Serine/threonine-protein kinase PLK4 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
MAPK7 Tchem Mitogen-activated protein kinase 7 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MAP2K5 Tchem Dual specificity mitogen-activated protein kinase kinase 5 (650 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PTK2 Tclin Focal adhesion kinase 1 (4730 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MAPK3 Tchem MAP kinase ERK1 (4725 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RPS6KA2 Tchem Ribosomal protein S6 kinase alpha 2 (2184 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PI4KA Tchem PI4-kinase alpha subunit (184 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RPS6KA3 Tchem Ribosomal protein S6 kinase alpha 3 (4284 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PLK4 Tchem Serine/threonine-protein kinase PLK4 (1882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TNK2 Tclin Tyrosine kinase non-receptor protein 2 (2836 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HL-60 (67320 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MKN-74 (303 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U2OS (164939 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A2780 (11979 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HeLa (62764 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MAPK7 Tchem Mitogen-activated protein kinase 7 (929 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TNK1 Tchem Non-receptor tyrosine-protein kinase TNK1 (1335 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DCLK2 Tchem Serine/threonine-protein kinase DCLK2 (1443 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DCLK1 Tchem Serine/threonine-protein kinase DCLK1 (1025 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
LRRK2 Tchem Leucine-rich repeat serine/threonine-protein kinase 2 (6390 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRDT Tchem Bromodomain testis-specific protein (576 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MAP2K2 Tclin Dual specificity mitogen-activated protein kinase kinase; MEK1/2 (426 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK-293T (167025 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MM1.S (1111 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504770807
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504770807
IUPAC Name 2-[2-ethoxy-4-(4-hydroxypiperidin-1-yl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
INCHI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29)
InChIKey QAPAJIZPZGWAND-UHFFFAOYSA-N
Smiles CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C
Isomeric SMILES CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C
PubChem CID 46843772
Molecular Weight 474.57

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number Certificate Type Date Item
K2108433 Certificate of Analysis Aug 14, 2023 X125609
K2108434 Certificate of Analysis Aug 14, 2023 X125609
K2108436 Certificate of Analysis Aug 14, 2023 X125609
K2108442 Certificate of Analysis Aug 14, 2023 X125609
K2108798 Certificate of Analysis Aug 14, 2023 X125609

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 18.98, Max Conc. mM: 40
Molecular Weight 474.600 g/mol
XLogP3 3.500
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 474.238 Da
Monoisotopic Mass 474.238 Da
Topological Polar Surface Area 94.100 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 719.000
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

Solution Calculators

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