Vodobatinib
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MedKoo CAT#: 462517

CAS#: 1388803-90-4

Description: 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

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Vodobatinib
CAS# 1388803-90-4

Theoretical Analysis

MedKoo Cat#: 462517
Name: Vodobatinib
CAS#: 1388803-90-4
Chemical Formula: C27H20ClN3O2
Exact Mass: 453.12
Molecular Weight: 453.926
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 Ready to ship
25mg USD 250 Ready to ship
50mg USD 450 Ready to ship
100mg USD 750 Ready to ship
200mg USD 1250 Ready to ship
500mg USD 2850 Ready to ship
1g USD 3850 Ready to ship
2g USD 6450 2 Weeks
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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:

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in DMSO 0.0 100.00

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: WHO Drug Information, Vol. 34, No. 2, 2020