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MedKoo Cat#: 406440 | Name: HUHS015
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Description:

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

HUHS015 is a potent PCA-1/ALKBH3 inhibitor both in vitro and in vivo. The bioavailability (BA) of HUHS015 was 7.2% in rats after oral administration. As expected, continuously administering HUHS015 significantly suppressed the growth of DU145 cells, which are human hormone-independent prostate cancer cells, in a mouse xenograft model without untoward effects.

Chemical Structure

HUHS015
HUHS015
CAS#1453097-13-6

Theoretical Analysis

MedKoo Cat#: 406440

Name: HUHS015

CAS#: 1453097-13-6

Chemical Formula: C19H18N4O

Exact Mass: 318.1481

Molecular Weight: 318.37

Elemental Analysis: C, 71.68; H, 5.70; N, 17.60; O, 5.03

Price and Availability

Size Price Availability Quantity
10mg USD 90.00 Ready to ship
25mg USD 150.00 Ready to ship
50mg USD 250.00 Ready to ship
100mg USD 450.00 Ready to ship
200mg USD 750.00 Ready to ship
500mg USD 1,450.00 Ready to ship
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Related CAS #
No Data
Synonym
HUHS015; HUHS 015; HUHS-015
IUPAC/Chemical Name
4-benzyl-3-methyl-1-(5-methyl-1H-benzo[d]imidazol-2-yl)-1H-pyrazol-5-ol.
InChi Key
LFEFEOLVKXXVGD-UHFFFAOYSA-N
InChi Code
InChI=1S/C19H18N4O/c1-12-8-9-16-17(10-12)21-19(20-16)23-18(24)15(13(2)22-23)11-14-6-4-3-5-7-14/h3-10,24H,11H2,1-2H3,(H,20,21)
SMILES Code
OC1=C(CC2=CC=CC=C2)C(C)=NN1C3=NC4=CC(C)=CC=C4N3
Appearance
white 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, not in water
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:
HUHS015 is a potent prostate cancer antigen-1 (PCA-1/ALKBH3) inhibitor with an IC50 of 0.67μM for PCA-1.
In vitro activity:
Compounds with weak PCA-1/ALKBH3 inhibitory activity, such as 12, demonstrated weak proliferation inhibition against DU145, while those with sub-micromolar IC50 values, such as 15, 35 (HUHS015), 38, and 49, exhibited more potent effects. Consequently, 35 (HUHS015) was selected for further studies because it exhibited an adequate level of serum concentration after oral administration and potent inhibition during both the enzymatic and cell assays. Reference: Bioorg Med Chem Lett. 2014 Feb 15;24(4):1071-4. https://linkinghub.elsevier.com/retrieve/pii/S0960-894X(14)00027-4
In vivo activity:
The preliminary bioavailability (BA) value for 35 (HUHS015) was measured after oral administration to rats, revealing a 7.2% BA value (Figs. S1 and S2). This BA value was sufficient for continuing the in vivo studies. The growth inhibition demonstrated by 35 (32 mg/kg) was examined in a mouse xenograft model bearing DU145 after subcutaneous injection (Fig. 2); potent growth inhibition was observed without limiting weight gains, even after a 6-day continuous administration. Therefore, the synthesizing small molecule inhibitor of PCA-1/ALKBH3, a clinically identified novel target, demonstrated promising results for developing an anti-prostate cancer drug without mechanism-oriented side effects. Reference: Bioorg Med Chem Lett. 2014 Feb 15;24(4):1071-4. https://linkinghub.elsevier.com/retrieve/pii/S0960-894X(14)00027-4
Solvent mg/mL mM
Solubility
DMSO 34.0 106.79
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 318.37 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:
1. Mabuchi M, Shimizu T, Ueda M, Sasakawa Y, Nakao S, Ueda Y, Kawamura A, Tsujikawa K, Tanaka A. Improving the bioavailability and anticancer effect of the PCA-1/ALKBH3 inhibitor HUHS015 using sodium salt. In Vivo. 2015 Jan-Feb;29(1):39-43. PMID: 25600528. 2. Nakao S, Mabuchi M, Shimizu T, Itoh Y, Takeuchi Y, Ueda M, Mizuno H, Shigi N, Ohshio I, Jinguji K, Ueda Y, Yamamoto M, Furukawa T, Aoki S, Tsujikawa K, Tanaka A. Design and synthesis of prostate cancer antigen-1 (PCA-1/ALKBH3) inhibitors as anti-prostate cancer drugs. Bioorg Med Chem Lett. 2014 Feb 15;24(4):1071-4. doi: 10.1016/j.bmcl.2014.01.008. Epub 2014 Jan 11. PMID: 24461353.
In vivo protocol:
1. Mabuchi M, Shimizu T, Ueda M, Sasakawa Y, Nakao S, Ueda Y, Kawamura A, Tsujikawa K, Tanaka A. Improving the bioavailability and anticancer effect of the PCA-1/ALKBH3 inhibitor HUHS015 using sodium salt. In Vivo. 2015 Jan-Feb;29(1):39-43. PMID: 25600528.   2. Nakao S, Mabuchi M, Shimizu T, Itoh Y, Takeuchi Y, Ueda M, Mizuno H, Shigi N, Ohshio I, Jinguji K, Ueda Y, Yamamoto M, Furukawa T, Aoki S, Tsujikawa K, Tanaka A. Design and synthesis of prostate cancer antigen-1 (PCA-1/ALKBH3) inhibitors as anti-prostate cancer drugs. Bioorg Med Chem Lett. 2014 Feb 15;24(4):1071-4. doi: 10.1016/j.bmcl.2014.01.008. Epub 2014 Jan 11. PMID: 24461353.
 1: Nakao S, Mabuchi M, Shimizu T, Itoh Y, Takeuchi Y, Ueda M, Mizuno H, Shigi N,  Ohshio I, Jinguji K, Ueda Y, Yamamoto M, Furukawa T, Aoki S, Tsujikawa K, Tanaka  A. Design and synthesis of prostate cancer antigen-1 (PCA-1/ALKBH3) inhibitors as anti-prostate cancer drugs. Bioorg Med Chem Lett. 24 (2014) 1071–1074.