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Home > Products > Specialty & Industrial Chemicals > Specialty Chemicals > 4,5-DICHLORO-2-M-TOLYLPYRIDAZIN-3(2H)-ONE
4,5-DICHLORO-2-M-TOLYLPYRIDAZIN-3(2H)-ONE structure, CAS 41931-13-9

4,5-DICHLORO-2-M-TOLYLPYRIDAZIN-3(2H)-ONE

CAS Number41931-13-9

Synonyms4,5-dichloro-2-m-tolyl-2H-pyridazin-3-one; 4,5-Dichlor-2-m-tolyl-pyridazin-3-on; 4,5-Dichloro-2-(3-methylphenyl)-3(2H)-pyridazinone; pyridazinone,2-46; 4,5-Dichloro-2-m-tolylpyridazin-3(2H)-one

Molecular FormulaC11H8Cl2N2O

Molecular Weight255.10

Purity≥99 (HPLC)%

Density1.39g/cm3

Boiling Point339.6ºC at 760 mmHg

Melting Point

Flash Point

Appearancesolid

EINECS0

MSDSChineseEnglish

Symboltransportation

Signal WordWarning

Cat. No.: 2A-0133307 Purity: ≥99 (HPLC)%
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Quality Control of [ 41931-13-9 ] Purity: ≥99 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number41931-13-9
Catalog No.2A-0133307
Chinese Name4,5-二氯-2-(3-甲苯基)哒嗪-3-酮
Synonyms4,5-dichloro-2-m-tolyl-2H-pyridazin-3-one; 4,5-Dichlor-2-m-tolyl-pyridazin-3-on; 4,5-Dichloro-2-(3-methylphenyl)-3(2H)-pyridazinone; pyridazinone,2-46; 4,5-Dichloro-2-m-tolylpyridazin-3(2H)-one
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10
Purity≥99 (HPLC)
Density1.39g/cm3
Boiling Point339.6ºC at 760 mmHg
Appearancesolid
Water SolubilityDMSO: soluble10mg/mL (clear solutikon, warmed)
Storage Condition2-8°C
ApplicationLCS-1 is a superoxide dismutase 1 (SOD1) inhibitor. LCS-1 inhibits SOD1 activity with an IC50 value of 1.07μM. LCS-1 induces early and late apoptosis in multiple myeloma (MM.1S) cells [1][2][3].
EINECS0
HTC2933990090
UN(IATA)0
MDL NumberMFCD00814448
SMILESClC1=C(C(=O)N(N=C1)c2cc(ccc2)C)Cl
InChI1S/C11H8Cl2N2O/c1-7-3-2-4-8(5-7)15-11(16)10(13)9(12)6-14-15/h2-6H,1H3
InChI KeySYUPLLHVMCLXEM-UHFFFAOYSA-N
NACRES CodeNA.28
UNSPSC12352200
Hazard Symbolstransportation
MSDSmsds/133307_1_41931_13_9.pdf
BioactivityLCS-1 is a superoxide dismutase 1 (SOD1) inhibitor. LCS-1 inhibits SOD1 activity with an IC50 value of 1.07 μM. LCS-1 induces the early- and late-stage apoptosis of multiple myeloma (MM.1S) cells[1][2][3]. Related Catalog Signaling Pathways >> Apoptosis >> Apoptosis Research Areas >> Cancer Target SOD1:1.07 μM (IC50) In Vitro LCS-1 (1-10000 nM; 24 hours) has selective cytotoxicity towards bloom syndrome gene product (BLM) -proficient and BLM-deficient HCT116 cells[1]. LCS-1 shows growth inhibitory effect on 10/27 adenocarcinoma cell lines (median IC50=0.20 μM; such as H23, H2347, HCC827 cell lines) and normal human bronchial epithelial (NHBE) cells (IC50=2.66 μM)[2]. LCS-1 (0, 1.25, 2 μM; 4 h) in a concentration-dependent manner triggers significant inhibition of SOD1 enzymatic activity in multiple myeloma (MM) cells[3]. LCS-1 (0, 1.25, 2.5, 5 μM; 48 h) in a dose-dependent manner reduces the viability of various MM cell lines, including MM.1R (Dexamethasone-resistant), Dox40 (Doxorubicin-resistant), or LR5 (Melphalan-resistant) cell lines[3]. LCS-1 (48 h) has IC50 values of 2.5 and 4.6 μM for cell viability of ANBL6-WT (Bortezomib-sensitive) and ANBL6-BR (Bortezomib- resistant) cells, respectively[3]. LCS-1 (1.25 μM; 16 h) induces a significant increase in ROS levels and O2− levels in MM.1S cells[3]. LCS-1 (1.25 μM; 16 h) shows a significant decrease in GSH/GSSG ratio in MM.1S cells[3]. LCS-1 (1.25 μM; 24h) induces the release of mitochondrial cytochrome-c into the cytosol, and enriches the proteins (HSP60/CLPP) mediating mtUPR signaling in MM.1S cells[3]. LCS-1-induced O2− (1.25 μM; 5 h) triggers a marked decrease in both RP2CP and RP1CP forms of 26S proteasomes[3]. LCS-1 (2 μM; 16 h) induces the early- and late-stage apoptosis of MM.1S cells[3]. LCS-1 (0, 0.5, 1, 1.5, 2 μM) upregulates p53/p21 signaling, as well as downregulates survival pathway proteins MCL-1, BclxL, or c-Myc in MM.1S cells[3]. LCS-1 (0, 4, 8, 16, 24 h; 2 μM) shows a rapid and robust induction of mitochondrial unfolded protein response (UPR) proteins (BIP, PERK, phosphorylated eIF2α, or a lectin protein calnexin) in MM.1S and ANBL6-BR cells[3]. Cell Viability Assay[1] Cell Line: BLM-proficient and BLM-deficient HCT116 cells Concentration: 1-10000 nM Incubation Time: 24 hours Result: Had IC50 values of 1462 nM and 24.92 nM for the viability of BLM-proficient and BLM-deficient HCT116 cells, respectively. Western Blot Analysis[3] Cell Line: MM.1S and ANBL6-BR cells Concentration: 2 μM Incubation Time: 16 hours Result: Decreased the expression of cell-cycle regulatory proteins (cyclin-B1, CDC25C, and CDC2). Western Blot Analysis[3] Cell Line: MM.1S cells Concentration: 0, 0.5, 1, 1.5, 2 μM Incubation Time: Result: Upregulated p53/p21 signaling, as well as downregulated survival pathway proteins MCL-1, BclxL, or c-Myc. Western Blot Analysis[3] Cell Line: MM.1S cells Concentration: 2 μM Incubation Time: 0, 4, 8, 16, 24 hours Result: Showed a rapid and robust induction of UPR proteins (BIP, PERK, phosphorylated eIF2α, or a lectin protein calnexin). In Vivo LCS-1 (20 mg/kg; i.p. every other day for 14 days) inhibits MM growth and prolongs host survival in MM.1S-bearing mice[3]. Animal Model: 5-week-old female CB17 SCID mice (MM.1S tumors volume=100 mm3)[3] Dosage: 20 mg/kg (diluted in saline) Administration: Intraperitoneal injections; treated on an every other day schedule for 14 days Result: Inhibited MM growth and prolongs host survival. References [1]. Gupta A, et al. Nanocarrier Composed of Magnetite Core Coated with Three Polymeric Shells Mediates LCS-1 Delivery for Synthetic Lethal Therapy of BLM-Defective Colorectal Cancer Cells. Biomacromolecules. 2018 Mar 12;19(3):803-815. [2]. Somwar R, et al. Superoxide dismutase 1 (SOD1) is a target for a small molecule identified in a screen for inhibitors of the growth of lung adenocarcinoma cell lines. Proc Natl Acad Sci U S A. 2011;108(39):16375-16380. [3]. Du T, et al. Proteomic analysis identifies mechanism(s) of overcoming bortezomib resistance via targeting ubiquitin receptor Rpn13. Leukemia. 2021 Feb;35(2):550-561. Chemical & Physical Properties Density 1.39g/cm3 Boiling Point 339.6ºC at 760 mmHg Molecular Formula C11H8Cl2N2O Molecular Weight 255.10000 Flash Point 159.2ºC Exact Mass 254.00100 PSA 34.89000 LogP 2.84770 Appearance of Characters white to beige Index of Refraction 1.627 InChIKey SYUPLLHVMCLXEM-UHFFFAOYSA-N SMILES Cc1cccc(-n2ncc(Cl)c(Cl)c2=O)c1 Storage condition 2-8°C Water Solubility DMSO: soluble10mg/mL (clear solutikon, warmed)
Use ofLCS-1 is a superoxide dismutase 1 (SOD1) inhibitor. LCS-1 inhibits SOD1 activity with an IC50 value of 1.07 μM. LCS-1 induces the early- and late-stage apoptosis of multiple myeloma (MM.1S) cells[1][2][3]. Properties Name 4,5-dichloro-2-(3-methylphenyl)pyridazin-3-one Synonym More Synonyms LCS-1 Biological Activity Description LCS-1 is a superoxide dismutase 1 (SOD1) inhibitor. LCS-1 inhibits SOD1 activity with an IC50 value of 1.07 μM. LCS-1 induces the early- and late-stage apoptosis of multiple myeloma (MM.1S) cells[1][2][3]. Related Catalog Signaling Pathways >> Apoptosis >> Apoptosis Research Areas >> Cancer SOD1:1.07 μM (IC50) References [2]. Somwar R, et al. Superoxide dismutase 1 (SOD1) is a target for a small molecule identified in a screen for inhibitors of the growth of lung adenocarcinoma cell lines. Proc Natl Acad Sci U S A. 2011;108(39):16375-16380. Chemical & Physical Properties Exact Mass 254.00100 PSA 34.89000 LogP 2.84770 Appearance of Characters white to beige Index of Refraction 1.627 InChIKey SYUPLLHVMCLXEM-UHFFFAOYSA-N
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 United Nations shipping name European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (4,5-DICHLORO-2-(3-METHYLPHENYL)-3(2H)- PYRIDAZINONE) IMDG: TOXIC SOLID, ORGANIC, N.O.S. (4,5-DICHLORO-2-(3-METHYLPHENYL)-3(2H)- PYRIDAZINONE) International air transport hazard regulations: Toxic solid, organic, n.o.s. (4,5-DICHLORO-2-(3-METHYLPHENYL)-3(2H)- PYRIDAZINONE) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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