XMD16-5
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 407372

CAS#: 1345098-78-3

Description: XMD16-5 is a tyrosine kinase nonreceptor 2(TNK2) inhibitor. TNK2 mutations have been found in renal cancer cells and also in lung, ovarian and gastric cancers. TNK2 genomic amplification has been associated with late stage or metastatic lung and prostate cancers. Overexpression of TNK2 promoted metastasis in a mouse model of breast cancer. TNK2 signaling is disrupted in prostate, breast and gastrointestinal tumors.


Chemical Structure

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XMD16-5
CAS# 1345098-78-3

Theoretical Analysis

MedKoo Cat#: 407372
Name: XMD16-5
CAS#: 1345098-78-3
Chemical Formula: C23H24N6O2
Exact Mass: 416.20
Molecular Weight: 416.485
Elemental Analysis: C, 66.33; H, 5.81; N, 20.18; O, 7.68

Price and Availability

Size Price Availability Quantity
10mg USD 150 Ready to ship
25mg USD 250 Ready to ship
50mg USD 450 Ready to ship
100mg USD 850 Ready to ship
200mg USD 1450 Ready to ship
500mg USD 2150 Ready to ship
1g USD 3250 Ready to ship
2g USD 4950 2 weeks
5g USD 7950 2 weeks
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Synonym: XMD16-5; XMD-16-5; XMD 16-5; XMD165; XMD-165; XMD 165.

IUPAC/Chemical Name: 2-((4-(4-hydroxypiperidin-1-yl)phenyl)amino)-11-methyl-5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one

InChi Key: AGLKBEPKKDHHKY-UHFFFAOYSA-N

InChi Code: 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)

SMILES Code: OC(CC1)CCN1C(C=C2)=CC=C2NC3=NC=C4C(N(C)C(C=CC=C5)=C5C(N4)=O)=N3

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target: XMD16-5 is a potent TNK2 inhibitor with IC50 values of 16 and 77 nM for the D163E and R806Q mutations, respectively.
In vitro activity: Deep sequencing of the same patient specimens identified genetic alterations that were then integrated with the functionally important targets using the HitWalker algorithm to prioritize the mutant genes that most likely explain the observed drug sensitivity patterns. These mutations were sensitive to the multikinase inhibitor dasatinib, which antagonizes TNK2 kinase activity, as well as novel TNK2 inhibitors, XMD8-87 and XMD16-5, with greater target specificity. Reference: Cancer Res. 2016 Jan 1;76(1):127-38. https://pubmed.ncbi.nlm.nih.gov/26677978/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO:PBS (pH 7.2) (1:7) 0.1 0.30
Ethanol 6.0 12.01

Preparing Stock Solutions

The following data is based on the product molecular weight 416.49 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: 1. Maxson JE, Abel ML, Wang J, Deng X, Reckel S, Luty SB, Sun H, Gorenstein J, Hughes SB, Bottomly D, Wilmot B, McWeeney SK, Radich J, Hantschel O, Middleton RE, Gray NS, Druker BJ, Tyner JW. Identification and Characterization of Tyrosine Kinase Nonreceptor 2 Mutations in Leukemia through Integration of Kinase Inhibitor Screening and Genomic Analysis. Cancer Res. 2016 Jan 1;76(1):127-38. doi: 10.1158/0008-5472.CAN-15-0817. Epub 2015 Dec 17. PMID: 26677978; PMCID: PMC4703549.
In vitro protocol: 1. Maxson JE, Abel ML, Wang J, Deng X, Reckel S, Luty SB, Sun H, Gorenstein J, Hughes SB, Bottomly D, Wilmot B, McWeeney SK, Radich J, Hantschel O, Middleton RE, Gray NS, Druker BJ, Tyner JW. Identification and Characterization of Tyrosine Kinase Nonreceptor 2 Mutations in Leukemia through Integration of Kinase Inhibitor Screening and Genomic Analysis. Cancer Res. 2016 Jan 1;76(1):127-38. doi: 10.1158/0008-5472.CAN-15-0817. Epub 2015 Dec 17. PMID: 26677978; PMCID: PMC4703549.
In vivo protocol: TBD

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1: Maxson JE, Abel ML, Wang J, Deng X, Reckel S, Luty SB, Sun H, Gorenstein J, Hughes SB, Bottomly D, Wilmot B, McWeeney SK, Radich J, Hantschel O, Middleton RE, Gray NS, Druker BJ, Tyner JW. Identification and Characterization of Tyrosine Kinase Nonreceptor 2 Mutations in Leukemia through Integration of Kinase Inhibitor Screening and Genomic Analysis. Cancer Res. 2016 Jan 1;76(1):127-38. doi: 10.1158/0008-5472.CAN-15-0817. PubMed PMID: 26677978; PubMed Central PMCID: PMC4703549.