Home > Products > Specialty & Industrial Chemicals > Specialty Chemicals > 2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1H-benz[e]indolium salt with 4-methylbenzenesulfonate (1:1)

2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1H-benz[e]indolium salt with 4-methylbenzenesulfonate (1:1)

Name: 2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1H-benz[e]indolium salt with 4-methylbenzenesulfonate (1:1)
Brand: 2A Biotech
SKU: 2A-9052334

CAS Number134127-48-3

SynonymsEC 2117; ADS 830A; IR DYE 813ABS; SDB 7047; IR813

Molecular FormulaC47H47O3N2Cl1S1

Molecular Weight755.42

Purity98.00%

Appearancea red crystalline powder

MSDSChinese English

Cat. No.: 2A-9052334 Purity: 98.00%

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Quality Control of [ 134127-48-3 ] Purity: 98.00% SDS Specification MoL

Chemical & Physical Properties
CAS Number	134127-48-3
Catalog No.	2A-9052334
Chinese Name	IR-813对甲基苯磺酸盐
Synonyms	EC 2117; ADS 830A; IR DYE 813ABS; SDB 7047; IR813
Molecular Formula	C47H47O3N2Cl1S1
Molecular Weight	755.42
Purity	98.00
Appearance	a red crystalline powder
Storage Condition	room temperature
Application	IR 813 tosylate is a near-infrared (NIR) fluorescent dye (λex=815 nm, λem=840 nm) that can be used to observe regional lymph nodes in mice [1].
MDL Number	MFCD03093252
SMILES	CN1C(=CC=C2CCCC(C=CC3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C2Cl)C(C)(C)c2c1ccc1ccccc21.Cc1ccc(S(=O)(=O)[O-])cc1
InChI Key	LQVQHHTYXSPHSQ-UHFFFAOYSA-M
MSDS	msds/52334_1_134127_48_3.pdf
Bioactivity	IR 813 tosylate is a near-infrared (NIR) fluorescent dye (λex=815 nm, λem=840 nm) and can be used for visualizing regional lymph nodes in mice[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others In Vitro IR 813 (17.3 μM, 2 h) tosylate induces a 31.4% hemolysis in red blood cells[1]. IR 813 (5.9 μM, 24 h) tosylate induces 50% cell death in MRC-5 cells[1]. In Vivo IR 813 tosylate displays a maximum fluorescence intensity at 4 h postinjection together with a rapid extravasation, when being used for visualizing regional lymph nodes in mice[1]. Guidelines (Following is our recommended protocol. This protocol only provides a guideline, and should be modified according to your specific needs)[1]. 1. Animal: Ten-week-old female Balb/cOlaAnN mice are kept in a 12 h light/dark cycle to reduce tissue autofluorescence in the NIR region, and had access to food and water ad libitum. 2. Dose: A single dose 5.1 nmol of IR 813 dye (20 μL of 0.173 mg/mL, dissolved in a PEG-400/ethanol/water=3:2:5, v/v/v solution) is subcutaneous injected in the right anterior paw of mice. 3. Imaging: Using the Fluobeam700 NIR imaging system to perform in vivo optical imaging (739 nm excitation light (3.5 mW), 750 nm long-pass emission cutoff filter).Fluorescence intensity in the axillary lymph node (ALN) is recorded for 1 week (5 min, 1 h, 4 h, 24 h, 7 days). 4. Data analysis: Semiquantitative data is obtained from the fluorescence images using ImageJ 1.44 software. Chemical & Physical Properties Molecular Formula C47H47ClN2O3S Molecular Weight 755.40600 Exact Mass 754.30000 PSA 71.83000 LogP 12.47360 InChIKey LQVQHHTYXSPHSQ-UHFFFAOYSA-M SMILES CN1C(=CC=C2CCCC(C=CC3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C2Cl)C(C)(C)c2c1ccc1ccccc21.Cc1ccc(S(=O)(=O)[O-])cc1
Use of	IR 813 tosylate is a near-infrared (NIR) fluorescent dye (λex=815 nm, λem=840 nm) and can be used for visualizing regional lymph nodes in mice[1]. Properties Name 1h-benz[e]indolium, 2-[2-[2-chloro-3-[(1,3-dihydro-1,1,3-trimethyl-2h-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1) Synonym More Synonyms IR813 Biological Activity Description IR 813 tosylate is a near-infrared (NIR) fluorescent dye (λex=815 nm, λem=840 nm) and can be used for visualizing regional lymph nodes in mice[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others Chemical & Physical Properties Exact Mass 754.30000 PSA 71.83000 LogP 12.47360 InChIKey LQVQHHTYXSPHSQ-UHFFFAOYSA-M
Transport Info	Product name: Purity: 98.0%
MSDS Transport Info	Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified

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2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1H-benz[e]indolium salt with 4-methylbenzenesulfonate (1:1)

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