LLS30 | CAS# 2138367-58-3 | Gal-1 Inhibitor

LLS30
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 564278

CAS#: 2138367-58-3

Description: 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

CAS# 2138367-58-3

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 564278
Name: LLS30
CAS#: 2138367-58-3
Chemical Formula: C34H33Cl4N5O3
Exact Mass: 699.13
Molecular Weight: 701.470
Elemental Analysis: C, 58.22; H, 4.74; Cl, 20.21; N, 9.98; O, 6.84

Price and Availability

Size	Price	Availability
1mg	USD 90	Ready to ship
5mg	USD 250	Ready to ship
10mg	USD 450	Ready to ship
25mg	USD 750	Ready to ship
50mg	USD 1250	Ready to ship
100mg	USD 2150	Ready to ship
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

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:

Product Data:

Product Data

Certificate of Analysis:

View CoA: current batch, Lot# YXM220429

QC Data:

View QC data: current batch, Lot# YXM220429

Safety Data Sheet (SDS):

View Safety Data Sheet (SDS)

Instruction:

View handling instruction

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/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	0.0	0.00

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.

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.

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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.

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