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MedKoo Cat#: 573448 | Name: ML230
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Description:

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

ML230 is a specific inhibitor of the ABC-binding cassette trasporter BCRP (MRP-1; ABCG2). The compound ML 230 is 36-fold selective for BCRP over MDR-1 (Pgp; ABCB1) with IC50 values of 0.013 and 4.7 mM, respectively.

Chemical Structure

ML230
ML230
CAS#1776055-05-0

Theoretical Analysis

MedKoo Cat#: 573448

Name: ML230

CAS#: 1776055-05-0

Chemical Formula: C25H21N5O3

Exact Mass: 439.1644

Molecular Weight: 439.48

Elemental Analysis: C, 68.33; H, 4.82; N, 15.94; O, 10.92

Price and Availability

Size Price Availability Quantity
5mg USD 275.00
25mg USD 825.00
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Related CAS #
No Data
Synonym
ML230, CID44640177, KSC-6-131-1, SID 88095709
IUPAC/Chemical Name
(4-(5-(Furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl)(furan-3-yl)methanone
InChi Key
LRPGMVPQQLBMNE-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H21N5O3/c31-25(19-8-14-32-17-19)29-11-9-28(10-12-29)24-16-21(22-7-4-13-33-22)26-23-15-20(27-30(23)24)18-5-2-1-3-6-18/h1-8,13-17H,9-12H2
SMILES Code
O=C(N1CCN(C2=CC(C3=CC=CO3)=NC4=CC(C5=CC=CC=C5)=NN24)CC1)C6=COC=C6
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
Product Data
Product Data
Instruction
View handling instruction
Biological target:
ML230 (CID44640177; SID 88095709) is a selective inhibitor of ATP-binding cassette (ABC) transporter ABCG2.
In vitro activity:
This result, coupled with the noted cellular activity in the potentiation assay justifies the overall utility of 1 (CID44640177) as a probe for ABCG2. Compound 1 showed greater potency and ABCG2 selectivity than any of the aforementioned literature precedent compounds in the efflux inhibition screening conditions. Reference: J Biomol Screen. 2013 Jan;18(1):26-38. https://pubmed.ncbi.nlm.nih.gov/22923785/
In vivo activity:
Tumor-bearing mice were injected with 150 nM TPT and either 100 nM of 1 (CID44640177) or 500 nM of 7. Such treatment dramatically reduced tumor size the over a 96 hour observatory period (Figure 6), indicating that tumor sensitivity of TPT returned when either of the ABCG2-blocking compounds were present (p < 0.001). Preliminary in vivo mouse model data indicate dramatic tumor reduction with co-treatment of TPT with 1. Reference: J Biomol Screen. 2013 Jan;18(1):26-38. https://pubmed.ncbi.nlm.nih.gov/22923785/
Solvent mg/mL mM comments
Solubility
DMSO 33.3 75.84
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 439.48 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:
Strouse JJ, Ivnitski-Steele I, Khawaja HM, Perez D, Ricci J, Yao T, Weiner WS, Schroeder CE, Simpson DS, Maki BE, Li K, Golden JE, Foutz TD, Waller A, Evangelisti AM, Young SM, Chavez SE, Garcia MJ, Ursu O, Bologa CG, Carter MB, Salas VM, Gouveia K, Tegos GP, Oprea TI, Edwards BS, Aubé J, Larson RS, Sklar LA. A selective ATP-binding cassette subfamily G member 2 efflux inhibitor revealed via high-throughput flow cytometry. J Biomol Screen. 2013 Jan;18(1):26-38. doi: 10.1177/1087057112456875. Epub 2012 Aug 24. PMID: 22923785; PMCID: PMC3623016.
In vitro protocol:
Strouse JJ, Ivnitski-Steele I, Khawaja HM, Perez D, Ricci J, Yao T, Weiner WS, Schroeder CE, Simpson DS, Maki BE, Li K, Golden JE, Foutz TD, Waller A, Evangelisti AM, Young SM, Chavez SE, Garcia MJ, Ursu O, Bologa CG, Carter MB, Salas VM, Gouveia K, Tegos GP, Oprea TI, Edwards BS, Aubé J, Larson RS, Sklar LA. A selective ATP-binding cassette subfamily G member 2 efflux inhibitor revealed via high-throughput flow cytometry. J Biomol Screen. 2013 Jan;18(1):26-38. doi: 10.1177/1087057112456875. Epub 2012 Aug 24. PMID: 22923785; PMCID: PMC3623016.
In vivo protocol:
Strouse JJ, Ivnitski-Steele I, Khawaja HM, Perez D, Ricci J, Yao T, Weiner WS, Schroeder CE, Simpson DS, Maki BE, Li K, Golden JE, Foutz TD, Waller A, Evangelisti AM, Young SM, Chavez SE, Garcia MJ, Ursu O, Bologa CG, Carter MB, Salas VM, Gouveia K, Tegos GP, Oprea TI, Edwards BS, Aubé J, Larson RS, Sklar LA. A selective ATP-binding cassette subfamily G member 2 efflux inhibitor revealed via high-throughput flow cytometry. J Biomol Screen. 2013 Jan;18(1):26-38. doi: 10.1177/1087057112456875. Epub 2012 Aug 24. PMID: 22923785; PMCID: PMC3623016.

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