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MedKoo Cat#: 564278 | Name: LLS30
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Description:

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

LLS30 is an allosteric inhibitor of Galectin-1 (Gal-1). LLS30 decreases Gal-1 binding affinity to its binding partners, and potentially overcomes metastatic castration-resistant prostate cancer (mCRPC).

Chemical Structure

LLS30
LLS30
CAS#2138367-58-3

Theoretical Analysis

MedKoo Cat#: 564278

Name: LLS30

CAS#: 2138367-58-3

Chemical Formula: C34H33Cl4N5O3

Exact Mass: 699.1338

Molecular Weight: 701.47

Elemental Analysis: C, 58.22; H, 4.74; Cl, 20.21; N, 9.98; O, 6.84

Price and Availability

Size Price Availability Quantity
1mg USD 90.00 Ready to ship
5mg USD 250.00 Ready to ship
10mg USD 450.00 Ready to ship
25mg USD 750.00 Ready to ship
50mg USD 1,250.00 Ready to ship
100mg USD 2,150.00 Ready to ship
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Related CAS #
No Data
Synonym
LLS-30; LLS 30; LLS30
IUPAC/Chemical Name
3-(2-(4-(Bis(2-hydroxyethyl)amino)phenyl)-1-(3,4-dichlorobenzyl)-1H-benzo[d]imidazol-5-yl)-3-((3,4-dichlorobenzyl)amino)propanamide
InChi Key
XWBTXDFCKRACTA-UHFFFAOYSA-N
InChi Code
InChI=1S/C34H33Cl4N5O3/c35-26-8-1-21(15-28(26)37)19-40-30(18-33(39)46)24-5-10-32-31(17-24)41-34(43(32)20-22-2-9-27(36)29(38)16-22)23-3-6-25(7-4-23)42(11-13-44)12-14-45/h1-10,15-17,30,40,44-45H,11-14,18-20H2,(H2,39,46)
SMILES Code
O=C(N)CC(C1=CC=C2N(CC3=CC=C(Cl)C(Cl)=C3)C(C4=CC=C(N(CCO)CCO)C=C4)=NC2=C1)NCC5=CC=C(Cl)C(Cl)=C5
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
2934.99.03.00
More Info
Biological target:
LLS30 is an allosteric inhibitor of Galectin-1 (Gal-1).
In vitro activity:
It was evaluated whether LLS30 could have an effect on the phosphorylation of Akt. Western blotting of cell lysates collected from CRPC PC3 (AR negative) and 22RV1 (AR positive) cells treated by LLS30 or DMSO showed that LLS30 treatment induced expression of p21, a cyclin-dependent kinase (CDK) inhibitor that interacts with Akt and also regulates survival. Phosphorylated AKT was partially suppressed in PC3 and 22RV1 cells after 24 hr treatment with 10 μM LLS30. Interestingly, treatment with LLS30 as well as siRNA knockdown of Gal-1, also decreased expression of AR and AR-Variants (AR-Vs) in 22RV1 cells. These results indicated that LLS30 inhibited CRPC cell growth through the suppression of Akt and AR pathway, and induction of p21. Moreover, these effects are most likely mediated through the inhibition of Gal-1 function. Reference: Clin Cancer Res. 2018 Sep 1;24(17):4319-4331. https://pubmed.ncbi.nlm.nih.gov/29666302/
In vivo activity:
The invasion-inhibitory activity of LLS30 was measured in vivo. Luciferase-tagged PC3 cells were transplanted into nude mice via tail-vein injection, followed by LLS30 treatment (5mg/kg q.d.X5) two weeks later. In control groups, metastatic colonization was observed in all 6 mice in a period of six weeks after injection. PC3 cells are spread to major visceral organs, such as kidneys, lungs, livers, and spleens. In LLS30 treated group, only 1 mouse developed metastases. These results indicated that LLS30 is capable of inhibiting tumor invasion and metastasis in vivo. Reference: Clin Cancer Res. 2018 Sep 1;24(17):4319-4331. https://pubmed.ncbi.nlm.nih.gov/29666302/
Solvent mg/mL mM
Solubility
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 701.47 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:
1. Shih TC, Liu R, Wu CT, Li X, Xiao W, Deng X, Kiss S, Wang T, Chen XJ, Carney R, Kung HJ, Duan Y, Ghosh PM, Lam KS. Targeting Galectin-1 Impairs Castration-Resistant Prostate Cancer Progression and Invasion. Clin Cancer Res. 2018 Sep 1;24(17):4319-4331. doi: 10.1158/1078-0432.CCR-18-0157. Epub 2018 Apr 17. PMID: 29666302; PMCID: PMC6125207.
In vitro protocol:
1. Shih TC, Liu R, Wu CT, Li X, Xiao W, Deng X, Kiss S, Wang T, Chen XJ, Carney R, Kung HJ, Duan Y, Ghosh PM, Lam KS. Targeting Galectin-1 Impairs Castration-Resistant Prostate Cancer Progression and Invasion. Clin Cancer Res. 2018 Sep 1;24(17):4319-4331. doi: 10.1158/1078-0432.CCR-18-0157. Epub 2018 Apr 17. PMID: 29666302; PMCID: PMC6125207.
In vivo protocol:
1. Shih TC, Liu R, Wu CT, Li X, Xiao W, Deng X, Kiss S, Wang T, Chen XJ, Carney R, Kung HJ, Duan Y, Ghosh PM, Lam KS. Targeting Galectin-1 Impairs Castration-Resistant Prostate Cancer Progression and Invasion. Clin Cancer Res. 2018 Sep 1;24(17):4319-4331. doi: 10.1158/1078-0432.CCR-18-0157. Epub 2018 Apr 17. PMID: 29666302; PMCID: PMC6125207.
1: Shih TC, Liu R, Wu CT, Li X, Xiao W, Deng X, Kiss S, Wang T, Chen XJ, Carney R, Kung HJ, Duan Y, Ghosh PM, Lam KS. Targeting Galectin-1 Impairs Castration-Resistant Prostate Cancer Progression and Invasion. Clin Cancer Res. 2018 Sep 1;24(17):4319-4331. doi: 10.1158/1078-0432.CCR-18-0157. Epub 2018 Apr 17. PubMed PMID: 29666302; PubMed Central PMCID: PMC6125207.