成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 111-41-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 111-41-1
Chemical Structure| 111-41-1
Structure of 111-41-1 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 111-41-1 ]

Related Doc. of [ 111-41-1 ]

Alternatived Products of [ 111-41-1 ]
Product Citations

Product Citations      Expand+

Dube, Phelelisiwe S. ; Angula, Klaudia T. ; Legoabe, Lesetja J. , et al. DOI: PubMed ID:

Abstract: Herein, we describe 39 novel quinolone compounds bearing a hydrophilic amine chain and varied substituted benzyloxy units. These compounds demonstrate broad-spectrum activities against acid-fast bacterium, Gram-pos. and -neg. bacteria, fungi, and leishmania parasite. Compound 30 maintained antitubercular activity against moxifloxacin-, isoniazid-, and rifampicin-resistant Mycobacterium tuberculosis, while 37 exhibited low micromolar activities (<1 μg/mL) against World Health Organization (WHO) critical pathogens: Cryptococcus neoformans, Acinetobacter baumannii, and Pseudomonas aeruginosa. Compounds in this study are metabolically robust, demonstrating % remnant of >98% after 30 min in the presence of human, rat, and mouse liver microsomes. Several compounds thus reported here are promising leads for the treatment of diseases caused by infectious agents.

Purchased from AmBeed: ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ;

Klaudia T. Angula ; Lesetja J. Legoabe ; Audrey Jordaan , et al. DOI: PubMed ID:

Abstract: A recent study identified quinolone-based thiosemicarbazone with an MIC90 value of 2?μM against Mycobacterium tuberculosis (Mtb). Herein, we report further optimization of the previous hit, which led to the discovery of quinolone-tethered aminoguanidine molecules with generally good antitubercular activity. Compounds 7f and 8e emerged as the hits of the series with submicromolar antitubercular activity, exhibiting MIC90 values of 0.49/0.90 and 0.49/0.60?μM, respectively, in the 7H9 CAS GLU Tx medium. This shows a fivefold increase in antitubercular activity compared to the previous study. Target compounds were also screened against ESKAPE (Enterococcus faecium, Staphylococcus aureus, Klebsiella pneumoniae, Acinetobacter baumannii, Pseudomonas aeruginosa, and Enterobacter species) pathogens. However, the series generally exhibited poor antibacterial activities, with only compounds 8d and 8e demonstrating >50% growth inhibition of Staphylococcus aureus and Pseudomonas aeruginosa at 32?μg/ml. The compounds displayed selective antitubercular activity as they showed no cytotoxicity effects against two noncancerous human cell lines. In silico studies predict 7f to have good solubility, no inhibitory effect on cytochrome P450 isoenzymes, and to be a non-pan-assay interfering compound.

Keywords: tuberculosis ; ESKAPE pathogens ; aminoguanidine ; quinolones ; thiosemicarzone

Purchased from AmBeed: ; ; ; ; ;

Product Details of [ 111-41-1 ]

CAS No. :111-41-1 MDL No. :MFCD00008170
Formula : C4H12N2O Boiling Point : -
Linear Structure Formula :OHC2H4NHC2H4NH2 InChI Key :LHIJANUOQQMGNT-UHFFFAOYSA-N
M.W : 104.15 Pubchem ID :8112
Synonyms :

Calculated chemistry of [ 111-41-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 3.0
Molar Refractivity : 28.01
TPSA : 58.28 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.14 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.19
Log Po/w (XLOGP3) : -1.69
Log Po/w (WLOGP) : -1.47
Log Po/w (MLOGP) : -1.06
Log Po/w (SILICOS-IT) : -0.89
Consensus Log Po/w : -0.78

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.84
Solubility : 725.0 mg/ml ; 6.97 mol/l
Class : Highly soluble
Log S (Ali) : 0.98
Solubility : 992.0 mg/ml ; 9.52 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -0.55
Solubility : 29.7 mg/ml ; 0.285 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.04

Safety of [ 111-41-1 ]

Signal Word:Danger Class:8
Precautionary Statements:P201-P202-P260-P264-P272-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P308+P313-P405-P501 UN#:2735
Hazard Statements:H314-H317-H360 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 111-41-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 111-41-1 ]

[ 111-41-1 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 926-39-6 ]
  • [ 141-43-5 ]
  • [ 111-41-1 ]
  • 2
  • [ 926-39-6 ]
  • [ 7664-41-7 ]
  • aqueous NaOH [ No CAS ]
  • [ 111-41-1 ]
  • [ 107-15-3 ]
  • [ 111-40-0 ]
  • 3
  • [ 24424-99-5 ]
  • [ 111-41-1 ]
  • [ 200283-08-5 ]
YieldReaction ConditionsOperation in experiment
100% With triethylamine; In tetrahydrofuran; ethanol; at 20℃; for 24h; N-(2-Hydroxyethyl)ethylenediamine (2.06 g; commercial) and TEA (13.8 mL) weredissolved in EtOH (30 mL) and THF (30 mL), di-tert-butyl dicarbonate (10.8 g) was addedand the mixture was stirred at rt for 1 day. TBME and 2M aq. HC1 was added and the org. layer was washed with sat. aq. NaHCO3 and brine, dried over Mg504 and concentrated under reduced pressure. The title compound was obtained as an off-white oil (6.98 g; quant.).M53 (ESI, mlz): 305.01 [M+H]; tR = 0.73 mm.
95% With sodium hydrogencarbonate; In tetrahydrofuran; water; at 0 - 20℃; General procedure: The corresponding amino alcohol was dissolved in a suspension of NaHCO3 in THF/H2O (1 : 1).tert-Butoxycarbonyl anhydride was added slowly at 0 C. The mixture was stirred overnightat room temperature. By slow addition of AcOH at 0 C the mixture was then acidified topH = 4 and extracted with CH2Cl2 (1 × 30 mL, 2 × 25 mL). The combined organic phases weredried over Na2SO4, filtered, and the solvent was removed by evaporation. The crude productstill contained acetic acid. The amount of residual acetic acid was determined by integralsarising from hydrogen atoms (CH3COOH) in the 1H NMR spectra. The compounds were usedfor further reactions without additional purification. Residual acetic acid: 18-33.0%.Boc-protected N-(2-hydroxyethyl)ethylenediamine (2a): For the synthesis of 2a, the followingwas used: 1a (1.00 g, 9.6 mmol), NaHCO3 (2.42 g, 28.8 mmol), THF/H2O (60 mL), Boc2O(5 g, 23.0 mmol). Residual AcOH: 17.8%. Yield: 2.94 g (95%). Colorless oily liquid. 1H NMR(400 MHz, CDCl3), delta (ppm): 1.40 (s, 9H, 3CH3), 1.43 (s, 9H, 3CH3), 3.27 (br, 4H, 2CH2), 3.33 (br, 2H,CH2), 3.70 (br, 2H, CH2). 13C NMR (400 MHz, CDCl3), delta (ppm): 28.39 (s, CH3), 28.40 (s, CH3), 39.8(s, CH2), 48.5 (s, CH2), 51.3 (s, CH2), 62.9 (s, CH2), 79.5, 80.4 (s, OC(CH3)3), 156.4 (br, N(CO)O).
65% In tetrahydrofuran; at 0 - 20℃; [00430] To a solution of 2-((2-aminoethyl)amino)ethanol (2.0 g, 20 mmol) in tetrahydrofuran (40 mL) at 0 C was added a solution of di-fert-butyldicarbonate (9.2 g, 40 mmol) in tetrahydrofuran (10 mL) and the reaction mixture stirred overnight at room temperature. The solvent was removed and the residue dissolved in ethyl acetate. The solution was washed with brine, dried with anhydrous sodium sulfate and the solvent removed under vacuum to get the crude product, which was purified by silica gel chromatography (0-40% EtOAc in hexanes) to give fert-butyl (2-((teri-butoxycarbonyl)amino)ethyl)(2-hydroxyethyl)carbamate (3.8 g, 65%).
In dichloromethane; at 20℃; for 2h; 2-((2-Aminoethyl)amino)ethan-1-ol (2.0 g, 19.2 mmol) (10.0 g, 84.62 mmol) and di-tert-butyl dicarbonate (9.26 g, 40.32 mmol) were dissolved in dichloromethane (57 ml) and the mixture was was stirred at room temperature for 2 hours. The solvent was removed under reducedpressure. The compound was used in the next step without further purification.

Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 111-41-1 ]

Aliphatic Chain Hydrocarbons

Chemical Structure| 14426-21-2

[ 14426-21-2 ]

Diethanolamine hydrochloride

Similarity: 0.81

Chemical Structure| 16369-21-4

[ 16369-21-4 ]

2-(Propylamino)ethanol

Similarity: 0.72

Chemical Structure| 4461-39-6

[ 4461-39-6 ]

N-(2-Hydroxyethyl)-1,3-propanediamine

Similarity: 0.68

Chemical Structure| 38256-93-8

[ 38256-93-8 ]

2-Methoxy-N-methylethanamine

Similarity: 0.67

Chemical Structure| 6579-55-1

[ 6579-55-1 ]

1-((2-Hydroxyethyl)amino)propan-2-ol

Similarity: 0.65

Alcohols

Chemical Structure| 103-76-4

[ 103-76-4 ]

N-(2-Hydroxyethyl)piperazine

Similarity: 0.83

Chemical Structure| 122-96-3

[ 122-96-3 ]

2,2'-(Piperazine-1,4-diyl)diethanol

Similarity: 0.83

Chemical Structure| 5464-12-0

[ 5464-12-0 ]

1-(2-Hydroxyethyl)-4-methylpiperazine

Similarity: 0.83

Chemical Structure| 14426-21-2

[ 14426-21-2 ]

Diethanolamine hydrochloride

Similarity: 0.81

Chemical Structure| 16369-21-4

[ 16369-21-4 ]

2-(Propylamino)ethanol

Similarity: 0.72

Amines

Chemical Structure| 14426-21-2

[ 14426-21-2 ]

Diethanolamine hydrochloride

Similarity: 0.81

Chemical Structure| 16369-21-4

[ 16369-21-4 ]

2-(Propylamino)ethanol

Similarity: 0.72

Chemical Structure| 4461-39-6

[ 4461-39-6 ]

N-(2-Hydroxyethyl)-1,3-propanediamine

Similarity: 0.68

Chemical Structure| 108302-54-1

[ 108302-54-1 ]

N-Ethyl-2-morpholinoethanamine

Similarity: 0.68

Chemical Structure| 2038-03-1

[ 2038-03-1 ]

2-Morpholinoethanamine

Similarity: 0.68

; ;