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MedKoo Cat#: 564861 | Name: LGH00031

Description:

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

LGH00031 is an irreversible inhibitor of cell division cycle 25B which inhibits human cancer cells via ROS generation.

Chemical Structure

LGH00031
LGH00031
CAS#NONE

Theoretical Analysis

MedKoo Cat#: 564861

Name: LGH00031

CAS#: NONE

Chemical Formula: C20H21BrN2O4

Exact Mass: 432.0685

Molecular Weight: 433.30

Elemental Analysis: C, 55.44; H, 4.89; Br, 18.44; N, 6.47; O, 14.77

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
LGH-00031; LGH 00031; LGH00031
IUPAC/Chemical Name
Ethyl 8-bromo-2-((isopropylamino)methyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate
InChi Key
CTUUBTBKLMYVCY-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H21BrN2O4/c1-5-27-20(26)16-14(9-22-10(2)3)23(4)17-15(16)13-8-11(21)6-7-12(13)18(24)19(17)25/h6-8,10,22H,5,9H2,1-4H3
SMILES Code
O=C(C1=C(CNC(C)C)N(C)C2=C1C3=CC(Br)=CC=C3C(C2=O)=O)OCC
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:
LGH00031 is an irreversible inhibitor of cell division cycle 25B which inhibits human cancer cells via ROS generation.
In vitro activity:
LGH00031 inhibited CDC25B irreversibly in vitro in a dose-dependent manner, and impaired the proliferation of tumor cell lines. LGH00031 accelerated cellular ROS production in a dose-dependent manner, and N-acetyl cysteine (NAC) markedly decreased the ROS production induced by LGH00031. Reference: Acta Pharmacol Sin. 2009 Sep;30(9):1359-68. https://pubmed.ncbi.nlm.nih.gov/19730430/
In vivo activity:
TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 433.30 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. Zhou YB, Feng X, Wang LN, Du JQ, Zhou YY, Yu HP, Zang Y, Li JY, Li J. LGH00031, a novel ortho-quinonoid inhibitor of cell division cycle 25B, inhibits human cancer cells via ROS generation. Acta Pharmacol Sin. 2009 Sep;30(9):1359-68. doi: 10.1038/aps.2009.131. PMID: 19730430; PMCID: PMC4085684.
In vitro protocol:
1. Zhou YB, Feng X, Wang LN, Du JQ, Zhou YY, Yu HP, Zang Y, Li JY, Li J. LGH00031, a novel ortho-quinonoid inhibitor of cell division cycle 25B, inhibits human cancer cells via ROS generation. Acta Pharmacol Sin. 2009 Sep;30(9):1359-68. doi: 10.1038/aps.2009.131. PMID: 19730430; PMCID: PMC4085684.
In vivo protocol:
TBD
1: Zhou YB, Feng X, Wang LN, Du JQ, Zhou YY, Yu HP, Zang Y, Li JY, Li J. LGH00031, a novel ortho-quinonoid inhibitor of cell division cycle 25B, inhibits human cancer cells via ROS generation. Acta Pharmacol Sin. 2009 Sep;30(9):1359-68. doi: 10.1038/aps.2009.131. PubMed PMID: 19730430; PubMed Central PMCID: PMC4085684.

View History

CNJ-294

CNJ-294