XMD16-5 - 10mM in DMSO , CAS No.1345098-78-3

CAS: 1345098-78-3 Cat. No.: X421296 Formula: C23H24N6O2 Molecular Weight: 416.48 PubChem CID: 57340666
AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
Synonyms
6H-​Pyrimido[4,​5-​b]​[1,​4]​benzodiazepin-​6-​one,5,​11-​dihydro-​2-​[[4-​(4-​hydroxy-​1-​piperidinyl)​phenyl]​amino]​-​11-​methyl-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Germany (EU)
USA*
Price
Qty
1ml
X421296-1ml
—
1 In stock

€143.09

€209.91
Save €66.82 (31.83%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

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

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Information

XMD16-5 XMD16-5 is a novel tyrosine kinase nonreceptor 2(TNK2) inhibitor with IC50s of 16 nmol/L and 77 nmol/L for the D163E and R806Q mutations.

Targets

TNK2

In vitro

XMD16-5 is found to be potent in the inhibition of TNK2 phosphorylation. XMD8-87 and XMD16-5 potently inhibit phosphorylation of TNK2 truncation mutations found in solid tumor types.

Cell Research(from reference)

Cell lines:293T cells 

Concentrations:10 nM-5 μM 

Incubation Time:6 h 

Specifications

Synonyms
6H-​Pyrimido[4,​5-​b]​[1,​4]​benzodiazepin-​6-​one,5,​11-​dihydro-​2-​[[4-​(4-​hydroxy-​1-​piperidinyl)​phenyl]​amino]​-​11-​methyl-
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
XMD16-5 is a novel tyrosine kinase nonreceptor 2(TNK2) inhibitor with IC50s of 16 nmol/L and 77 nmol/L for the D163E and R806Q mutations.
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties
ALogP
2.967
HBD Count
3
Rotatable Bond
3
Names and Identifiers
Pubchem Sid
Canonical Smiles
CN1C2=CC=CC=C2C(=O)NC3=CN=C(N=C31)NC4=CC=C(C=C4)N5CCC(CC5)O
IUPAC Name
2-[4-(4-hydroxypiperidin-1-yl)anilino]-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
InChIKey
AGLKBEPKKDHHKY-UHFFFAOYSA-N
INCHI
1S/C23H24N6O2/c1-28-20-5-3-2-4-18(20)22(31)26-19-14-24-23(27-21(19)28)25-15-6-8-16(9-7-15)29-12-10-17(30)11-13-29/h2-9,14,17,30H,10-13H2,1H3,(H,26,31)(H,24,25,27)
Isomeric SMILES
CN1C2=CC=CC=C2C(=O)NC3=CN=C(N=C31)NC4=CC=C(C=C4)N5CCC(CC5)O
PubChem CID
57340666
Molecular Weight
416.48

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
ClassPiperidines
SubclassPhenylpiperidines
Intermediate Tree Nodes Not available
Direct ParentPhenylpiperidines
Alternative Parents Alkyldiarylamines  1,4-benzodiazepines  Pyrimidodiazepines  Aniline and substituted anilines  Dialkylarylamines  1,4-diazepines  Aminopyrimidines and derivatives  Imidolactams  Heteroaromatic compounds  Vinylogous amides  Secondary alcohols  Amino acids and derivatives  Secondary carboxylic acid amides  Lactams  Azacyclic compounds  Secondary amines  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylpiperidine - Alkyldiarylamine - Benzodiazepine - 1,4-benzodiazepine - Pyrimidodiazepine - Aniline or substituted anilines - Dialkylarylamine - Para-diazepine - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Azacycle - Secondary amine - Organonitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis 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 Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TNK2 Tclin Activated CDC42 kinase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
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
DMSO(mg / mL) Max Solubility83
DMSO(mM) Max Solubility199.2892816
Water(mg / mL) Max Solubility<1
Molecular Weight416.500 g/mol
XLogP33.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass416.196 Da
Monoisotopic Mass416.196 Da
Topological Polar Surface Area93.600 Ų
Heavy Atom Count31
Formal Charge0
Complexity619.000
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

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.