ASLAN003 | CAS#1035688-66-4 | DHODH inhibitor

MedKoo Cat#: 462366 | Name: ASLAN003

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Description:

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

ASLAN003 is an orally active and potent inhibitor of DHODH (Human Dihydroorotate Dehydrogenase).

Chemical Structure

ASLAN003

CAS#1035688-66-4

Theoretical Analysis

MedKoo Cat#: 462366

Name: ASLAN003

CAS#: 1035688-66-4

Chemical Formula: C19H14F2N2O3

Exact Mass: 356.0972

Molecular Weight: 356.33

Elemental Analysis: C, 64.04; H, 3.96; F, 10.66; N, 7.86; O, 13.47

Price and Availability

Size	Price	Availability
50mg	USD 250.00	2 Weeks
100mg	USD 450.00	2 Weeks
200mg	USD 750.00	2 Weeks
500mg	USD 1,450.00	2 Weeks
1g	USD 2,450.00	2 Weeks
2g	USD 4,350.00	2 Weeks
5g	USD 6,950.00	2 Weeks

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Synonym

ASLAN003; ASLAN 003; ASLAN-003; Aslan-003; Farudodstat

IUPAC/Chemical Name

2-((3,5-difluoro-3'-methoxy-[1,1'-biphenyl]-4-yl)amino)nicotinic acid

InChi Key

OMPATGZMNFWVOH-UHFFFAOYSA-N

InChi Code

InChI=1S/C19H14F2N2O3/c1-26-13-5-2-4-11(8-13)12-9-15(20)17(16(21)10-12)23-18-14(19(24)25)6-3-7-22-18/h2-10H,1H3,(H,22,23)(H,24,25)

SMILES Code

O=C(C1=CC=CN=C1NC2=C(F)C=C(C3=CC=CC(OC)=C3)C=C2F)O

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:

ASLAN003 is a Dihydroorotate Dehydrogenase (DHODH) inhibitor with an IC50 of 35 nM for human DHODH enzyme.

In vitro activity:

ASLAN003 was found to inhibit leukemic cell proliferation of THP-1, MOLM-14 and KG-1 with IC50 values of 152 nM, 582 nM, and 382 nM, respectively (Figure 1A). It is worth noting that cell viability was maintained at ~50% at ASLAN003 1 μM and higher (Figure 1A). This indicates that the mode of action of ASLAN003 differs from that of cytotoxic drugs, which cause increased cell death with higher doses. This study also examined the selectivity of ASLAN003 and brequinar on AML cells over normal CD34+CD38+ BM cells obtained from healthy donors. CD34+CD38+ cells are considered as dividing myeloid progenitor cells. The IC50 values of ASLAN003 and brequinar were 5.22 μM and 2.87 μM, respectively (Online Supplementary Figure S1A). ASLAN003 and brequinar were on average 11-fold more active in AML cells than in normal CD34+CD38+ BM myeloid progenitor cells, suggesting a favorable therapeutic index for DHODH inhibitors. Reference: Haematologica. 2020 Sep 1; 105(9): 2286–2297. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7556493/

In vivo activity:

Survival was significantly prolonged in the ASLAN003-treated groups compared to the vehicle control groups in both xenograft models (P=0.03 and P<0.001) (Figure 6A). In the MOLM-14 xenograft model, ASLAN003 substantially reduced the number of disseminated tumors, but also the size of these tumors relative to those in controls (Online Supplementary Figure S5B). Interestingly, in the THP-1 xenograft model, this study observed that the livers of control mice were swollen and the surfaces were covered by copious white dots, a manifestation of leukemic infiltration. In sharp contrast, the appearance and size of the livers remained largely normal in ASLAN003-treated mice bearing THP-1 cells (Online Supplementary Figure S5B). Taken together, the therapeutic effects of ASLAN003 were multiple: prolonged survival, and prevention of tumor dissemination and leukemic infiltration into organs. Reference: Haematologica. 2020 Sep 1; 105(9): 2286–2297. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7556493/

	Solvent	mg/mL	mM
Solubility
	DMSO	77.0	216.09
	DMSO:PBS (pH 7.2) (1:7)	0.1	0.34
	DMF	30.0	84.19
	DMSO	77.0	216.09
	DMSO:PBS (pH 7.2) (1:7)	0.1	0.34
	DMF	30.0	84.19

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 356.33 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.

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:

1. Zhou J, Yiying Quah J, Ng Y, Chooi JY, Hui-Min Toh S, Lin B, Zea Tan T, Hosoi H, Osato M, Seet Q, Ooi LAG, Lindmark B, McHale M, Chng WJ. ASLAN003, a potent dihydroorotate dehydrogenase inhibitor for differentiation of acute myeloid leukemia. Haematologica. 2020 Sep 1;105(9):2286-2297. doi: 10.3324/haematol.2019.230482. PMID: 33054053; PMCID: PMC7556493.

In vitro protocol:

In vivo protocol:

1: Marco L. Lolli, et al. Human Dihydroorotate Dehydrogenase (hDHODH) as a new target on Acute Myelogenous Leukemia (AML): Targeting Myeloid Differentiation using Potent and Innovative hDHODH Inhibitors. 23rd Swedish Conference on Macromolecular Structure and Function Tällberg, 14-17 June 2019

Description:

Chemical Structure

Theoretical Analysis

Price and Availability

Preparing Stock Solutions

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