MedKoo Cat#: 555696 | Name: LUN80466

Description:

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

LUN80466, also known as ACK1 inhibitor and B19, is a ACK inhibitor (ACK1, 15 nM Kd in Ambit binding assay, 35.4 nM IC50 in Invitrogen kinase assay). B19 inhibited kinase activity of ACK1 by monitoring EGF-induced autophosphorylation in HEK293 cell at 2 μM. B19 completely inhibited lung cancer cell A549 growth at 10 μM. LUN80466 was first reported in Chem Biol. 2011 Jul 29;18(7):868-79. This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

LUN80466
LUN80466
CAS#1234480-46-6 (free base)

Theoretical Analysis

MedKoo Cat#: 555696

Name: LUN80466

CAS#: 1234480-46-6 (free base)

Chemical Formula: C24H27N7O2

Exact Mass: 445.2226

Molecular Weight: 445.53

Elemental Analysis: C, 64.70; H, 6.11; N, 22.01; O, 7.18

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
1234480-46-6 (free base) 1321828-64-1 (TFA)
Synonym
ACK1 inhibitor; B19; B-19; B 19; LUN80466; LUN-80466; LUN 80466;
IUPAC/Chemical Name
2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-11-methyl-5Hbenzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one
InChi Key
LGLHCXISMKHLIK-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H27N7O2/c1-29-10-12-31(13-11-29)16-8-9-18(21(14-16)33-3)27-24-25-15-19-22(28-24)30(2)20-7-5-4-6-17(20)23(32)26-19/h4-9,14-15H,10-13H2,1-3H3,(H,26,32)(H,25,27,28)
SMILES Code
O=C1C2=C(C=CC=C2)N(C)C3=NC(NC4=C(OC)C=C(N5CCN(C)CC5)C=C4)=NC=C3N1
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 0.00
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 445.53 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: Miduturu CV, Deng X, Kwiatkowski N, Yang W, Brault L, Filippakopoulos P, Chung E, Yang Q, Schwaller J, Knapp S, King RW, Lee JD, Herrgard S, Zarrinkar P, Gray NS. High-throughput kinase profiling: a more efficient approach toward the discovery of new kinase inhibitors. Chem Biol. 2011 Jul 29;18(7):868-79. doi: 10.1016/j.chembiol.2011.05.010. PubMed PMID: 21802008; PubMed Central PMCID: PMC3171802. 2. https://graylab.dana-farber.org/probes.html