MedKoo Cat#: 462517 | Name: Vodobatinib
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Description:

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

Vodobatinib, also known as K-0706, is a novel 3rd generation (3G) TKI effective against wild-type and mutated BCR-ABL1 with limited off-target activity.

Chemical Structure

Vodobatinib
Vodobatinib
CAS#1388803-90-4

Theoretical Analysis

MedKoo Cat#: 462517

Name: Vodobatinib

CAS#: 1388803-90-4

Chemical Formula: C27H20ClN3O2

Exact Mass: 453.1244

Molecular Weight: 453.93

Elemental Analysis: C, 71.44; H, 4.44; Cl, 7.81; N, 9.26; O, 7.05

Price and Availability

Size Price Availability Quantity
10mg USD 150.00 Ready to ship
25mg USD 250.00 Ready to ship
50mg USD 450.00 Ready to ship
100mg USD 750.00 Ready to ship
200mg USD 1,250.00 Ready to ship
500mg USD 2,850.00 Ready to ship
1g USD 3,850.00 Ready to ship
2g USD 6,450.00 2 Weeks
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Related CAS #
No Data
Synonym
Vodobatinib; K-0706; K0706; K0706;
IUPAC/Chemical Name
2-chloro-6-methyl-N'-{4-methyl-3-[(quinolin-3-yl)ethynyl]benzoyl}benzohydrazide
InChi Key
ZQOBVMHBVWNVBG-UHFFFAOYSA-N
InChi Code
InChI=1S/C27H20ClN3O2/c1-17-10-12-22(26(32)30-31-27(33)25-18(2)6-5-8-23(25)28)15-20(17)13-11-19-14-21-7-3-4-9-24(21)29-16-19/h3-10,12,14-16H,1-2H3,(H,30,32)(H,31,33)
SMILES Code
CC1=C(C=C(C(NNC(C2=C(Cl)C=CC=C2C)=O)=O)C=C1)C#CC(C=N3)=CC4=C3C=CC=C4
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
>3 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
Solvent mg/mL mM
Solubility
Soluble in DMSO 0.0 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 453.93 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
1: Li YC, Lin BH, Murakami M, Wu YS, Hung TH, Chen CC, Ambudkar SV, Wu CP. Vodobatinib overcomes cancer multidrug resistance by attenuating the drug efflux function of ABCB1 and ABCG2. Eur J Pharmacol. 2024 Dec 24;988:177231. doi: 10.1016/j.ejphar.2024.177231. Epub ahead of print. PMID: 39725134. 2: Walsh RR, Damle NK, Mandhane S, Piccoli SP, Talluri RS, Love D, Yao SL, Ramanathan V, Hurko O. Plasma and cerebrospinal fluid pharmacokinetics of vodobatinib, a neuroprotective c-Abl tyrosine kinase inhibitor for the treatment of Parkinson's disease. Parkinsonism Relat Disord. 2023 Mar;108:105281. doi: 10.1016/j.parkreldis.2023.105281. Epub 2023 Jan 14. PMID: 36717298. 3: Khan SA, Khan S, Kausar H, Shah R, Luitel A, Gautam S, Parajuli SB, Rauniyar VK, Khan MAB. Insights into the management of Lewy body dementia: a scoping review. Ann Med Surg (Lond). 2024 Jan 3;86(2):930-942. doi: 10.1097/MS9.0000000000001664. PMID: 38333295; PMCID: PMC10849442. 4: Scalzulli E, Carmosino I, Bisegna ML, Martelli M, Breccia M. CML Resistant to 2nd-Generation TKIs: Mechanisms, Next Steps, and New Directions. Curr Hematol Malig Rep. 2022 Dec;17(6):198-205. doi: 10.1007/s11899-022-00683-3. Epub 2022 Oct 20. PMID: 36264428. 5: Scalzulli E, Carmosino I, Costa A, Bisegna ML, Martelli M, Breccia M. Management of Chronic Myeloid Leukemia Patients in Later Lines: The Role of Ponatinib and New Compounds. Clin Lymphoma Myeloma Leuk. 2023 Jun;23(6):420-425. doi: 10.1016/j.clml.2023.03.004. Epub 2023 Mar 20. PMID: 37029061. 6: Malik S, Hassan S, Eşkazan AE. Novel BCR-ABL1 tyrosine kinase inhibitors in the treatment of chronic myeloid leukemia. Expert Rev Hematol. 2021 Nov;14(11):975-978. doi: 10.1080/17474086.2021.1990034. Epub 2021 Oct 20. PMID: 34608829. 7: WHO Drug Information, Vol. 34, No. 2, 2020