天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 939-26-4 ] {[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| 939-26-4
Chemical Structure| 939-26-4
Structure of 939-26-4 * 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 [ 939-26-4 ]

Related Doc. of [ 939-26-4 ]

Alternatived Products of [ 939-26-4 ]
Product Citations

Product Citations

Henderson, Ian M. ; Zeng, Fanxun ; Bhuiyan, Nazmul H. , et al. DOI: PubMed ID:

Abstract: Interest in development of potent, selective inhibitors of the phosphatase from the receptor type protein tyrosine phosphatase PTPRD as antiaddiction agents is supported by human genetics, mouse models and studies of our lead compound PTPRD phosphatase inhibitor, 7-butoxy illudalic acid analog 1 (7-BIA). We now report structure-activity relationships for almost 70 7-BIA-related compounds and results that nominate a 7- cyclopentyl methoxy analog as a candidate for further development. While efforts to design 7-BIA analogs with substitutions for other parts failed to yield potent inhibitors of PTPRDs phosphatase, ten 7-position substituted analogs displayed greater potency at PTPRD than 7-BIA. Several were more selective for PTPRD vs the receptor type protein tyrosine phosphatases S, F and J or the nonreceptor type protein tyrosine phosphatase N1 (PTPRS, PTPRF, PTPRJ or PTPN1/PTP1B), phosphatases at which 7-BIA displays activity. In silico studies aided design of novel analogs. A 7-position cyclopentyl methoxy substituted 7-BIA analog termed NHB1109 displayed 600-700 nM potencies in inhibiting PTPRD and PTPRS, improved selectivity vs PTPRS, PTPRF, PTPRJ or PTPN1/PTP1B phosphatases, no substantial potency at other protein tyrosine phosphatases screened, no significant potency at any of the targets of clin.-useful drugs identified in EUROFINS screens and significant oral bioavailability. Oral doses up to 200 mg/kg were well tolerated by mice, though higher doses resulted in reduced weight and apparent ileus without clear organ histopathol. NHB1109 provides a good candidate to advance to in vivo studies in addiction paradigms and toward human use to reduce reward from addictive substances.

Keywords: Receptor type protein tyrosine phosphatase ; Cell adhesion molecule ; Addiction ; Drug reward ; Opiates ; Stimulants

Purchased from AmBeed: ; ; 103-63-9 ; ; ; ; ; ; ; ; ; ; ; ; ; ; ;

Product Details of [ 939-26-4 ]

CAS No. :939-26-4 MDL No. :MFCD00004123
Formula : C11H9Br Boiling Point : No data available
Linear Structure Formula :- InChI Key :RUHJZSZTSCSTCC-UHFFFAOYSA-N
M.W : 221.09 Pubchem ID :70320
Synonyms :

Calculated chemistry of [ 939-26-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.09
Num. rotatable bonds : 1
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 56.78
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.06 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.43
Log Po/w (XLOGP3) : 3.65
Log Po/w (WLOGP) : 3.58
Log Po/w (MLOGP) : 4.05
Log Po/w (SILICOS-IT) : 4.01
Consensus Log Po/w : 3.54

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.06
Solubility : 0.0192 mg/ml ; 0.0000869 mol/l
Class : Moderately soluble
Log S (Ali) : -3.34
Solubility : 0.101 mg/ml ; 0.000458 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.34
Solubility : 0.00102 mg/ml ; 0.0000046 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 1.52

Safety of [ 939-26-4 ]

Signal Word:Danger Class:8
Precautionary Statements:P234-P260-P264-P272-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P333+P313-P362+P364-P390-P405-P406-P501 UN#:3261
Hazard Statements:H290-H314-H317 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 939-26-4 ]

* 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 [ 939-26-4 ]

[ 939-26-4 ] Synthesis Path-Downstream   1~11

  • 1
  • [ 62327-21-3 ]
  • [ 939-26-4 ]
  • [ 208169-56-6 ]
  • 2
  • [ 939-26-4 ]
  • [ 63024-44-2 ]
  • 3
  • [ 68631-52-7 ]
  • [ 939-26-4 ]
  • [ 1245503-98-3 ]
  • 4
  • [ 42726-73-8 ]
  • [ 939-26-4 ]
  • 1-tert-butyl 3-methyl 2-benzoyloxy-2-naphthalen-2-ylmethylmalonate [ No CAS ]
  • 5
  • [ 42726-73-8 ]
  • [ 939-26-4 ]
  • 1-tert-butyl 3-methyl 2-naphthalen-2-ylmethylmalonate [ No CAS ]
  • 6
  • [ 50790-93-7 ]
  • [ 939-26-4 ]
  • C18H20N2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
2-Butylimidazole (0.500 g, 4.0 mmol) wasdissolved in organic dry tetrahydrofuran (10 mL) and added to a stirred slurryof sodium hydride (0.14 g, 5.8 mmol) in organic dry tetrahydrofuran (10 mL)cooled to 0C in an ice bath. After 30 minutes, tetrabutylammonium bromide(0.070 g, 0.2 mmol) was added to the reaction mixture. 2-(Bromomethyl)naphthalene(1.00 g, 4.5 mmol) dissolved in organic dry tetrahydrofuran (15 mL) was slowlyadded to the reaction mixture dropwise over 15 minutes. Reaction was warmed toroom temperature and stirred for 4 hours. The mixture was filtered throughcelite and the volatiles were removed from the filtrate to form a light yellowoil. The oil was suspended in water (30 mL) and extracted with dichloromethane(3 x 30 mL). The organic layers were combined, washed with water (3 x 30 mL),and dried with magnesium sulfate. The volatiles were removed to form a lightyellow solid. The mono-alkylated intermediate was dissolved in acetone leavinga white precipitate that was removed by filtration. The volatiles were removedfrom the filtrate to form a light yellow residue. This residue was resuspendedin acetonitrile (5 mL), combined with 2-(chloromethyl)quinoline (0.735 g, 4.2mmol), and heated to 80C overnight. A white solid precipitated from thereaction mixture which was washed with room temperatureacetonitrile and diethyl ether. The white solid was dissolved indichloromethane followed by removal of all volatiles by rotary evaporation and byvacuum with the compound under reduced pressure for 6 days to yield 6 (0.256 g, 17% yield). Mp: 170-173C. HRMS(ESI+) calcd for C28H28N3+[M-Cl] of m/z = 406.2278, found m/z = 406.2304. 1H NMR (500 MHz,DMSO- d6) delta = 8.48 (1H, d,Ar, J = 8.6 Hz), 8.01 (4H, m, Ar), 7.97 (1H, m, Ar), 7.92 (2H, m, Ar, 7.76 (2H,m, Ar), 7.67 (1H, d, Ar, J = 8.6 Hz), 7.61 (1H, m, Ar), 7.57 (2H, m, Ar), 7.51(1H, d, Ar, J = 8.3 Hz), 5.93 (2H, s, CH2), 5.78 (2H, s, CH2),3.12 (2H, m, CH2), 1.15 (4H, m, CH2, CH2),0.51 (3H, m, CH3) . 13C NMR (125 MHz, DMSO- d6) delta = 154.2 (Ar), 148.1(Ar), 146.2 (Ar), 137.4 (Ar), 132.6 (Ar), 132.5 (Ar), 132.4 (Ar), 130.1(Ar), 128.7 (Ar), 128.3 (Ar), 127.9 (Ar), 127.7 (Ar), 127.6 (Ar), 127.1 (Ar),126.9 (Ar), 126.7 (Ar), 126.6 (Ar), 126.6 (Ar), 125.1 (Ar), 123.2 (Ar), 122.2(Ar), 119.9 (Ar), 52.4 (CH2), 51.0 (CH2), 28.3 (CH2),22.8 (CH2), 21.5 (CH2), 13.1 (CH3).
General procedure: Potassium hydroxide was added to a stirred solution of the 2-alkylimidazole in hot acetonitrile (~ 80 C), and the reaction was stirred for one hour. 2-(Bromomethyl)naphthalene was added to the mixture, which was refluxed overnight. An insoluble material formed and was removed by filtration. 2-(Bromomethyl)naphthalene was added to the filtrate and the mixture was refluxed overnight. The product precipitated from hot acetonitrile, or precipitation was induced by addition of diethyl ether. The solid was collected by filtration, washed with diethyl ether, air dried, and recrystallized from the appropriate solvent to yield the product.
  • 7
  • [ 38116-61-9 ]
  • [ 939-26-4 ]
  • 6-methyl-2-(naphthalen-2-ylmethoxy)nicotinic acid [ No CAS ]
  • 8
  • [ 39998-25-9 ]
  • [ 939-26-4 ]
  • methyl 3-(naphthalen-2-yl)-2-(pyridin-3-yl)propanoate [ No CAS ]
  • 9
  • [ 39998-25-9 ]
  • [ 939-26-4 ]
  • methyl 2-methyl-3-(naphthalen-2-yl)-2-(pyridin-3-yl)propanoate [ No CAS ]
  • 10
  • [ 492-30-8 ]
  • [ 939-26-4 ]
  • C39H34O5 [ No CAS ]
YieldReaction ConditionsOperation in experiment
70% The raw material 5 (5.0 g, 30 . 84 mmol) [according to Tetrahedron: Asymmetry 2007, 18, 500 - 512 method preparation] dissolved in anhydrous DMF (200 ml) in, nitrogen protection, cooling to -10 C, slowly added 60% NaH (1.6 g, 40 . 09 mmol), in -10 C stirring reaction for 1 hour later, slowly adding 2 - bromo naphthalene (10.2 g, 46 . 26 mmol), continuing to stir 30 minutes later, according to the above-mentioned operation by adding 60% NaH (1.6 g, 40 . 09 mmol) and 2 - bromo naphthalene (10.2 g, 46 . 26 mmol), repeated two, keeping the temperature at -10 C stirring reaction 48 hours later, the reaction solution is poured into a 500 ml ice water quenching of the reaction, ethyl acetate (100 mLx 4) extraction, the combined organic phase, 200 ml saturated salt water washing of the organic layer, anhydrous sodium sulfate drying, concentrating, separating by silica gel column (10:1, V/V, petroleum ether: EtOAc) to obtain colourless oily product 5 - 1 the a (12.6 g, 21 . 59 mmol), yield: 70%.
70% Starting material 6-1c (5.0 g, 30.84 mmol) was dissolved in anhydrous DMF (200 mL). Protected with nitrogen and cooled to -10 C, Slowly add 60% NaH (1.6 g, 40.09 mmol), After stirring at -10 C for 1 hour, 2-Bromomethylnaphthalene (10.2 g, 46.26 mmol) was slowly added. After stirring for another 30 minutes, Add 60% NaH (1.6g, 40.09mmol) as above. And 2-bromomethylnaphthalene (10.2 g, 46.26 mmol), Repeat twice, After maintaining the temperature at -10 C for 48 hours, The reaction solution was poured into 500 mL of ice water to quench the reaction. Extracted with ethyl acetate (100 mL x 4), Combine the organic phase, The organic layer was washed with 200 mL of saturated brine. Dry over anhydrous sodium sulfate, concentrate, Separation on silica gel column (10:1, V/V, petroleum ether: EtOAc) The colorless oily product 2-1c (12.6 g, 21.59 mmol), Yield: 70%.
  • 11
  • [ 492-30-8 ]
  • [ 939-26-4 ]
  • C36H28O5 [ No CAS ]
YieldReaction ConditionsOperation in experiment
70% Starting material 3 (5.0 g, 30.84 mmol) [prepared according to Tetrahedron: Asymmetry 2007, 18, 500-512] was dissolved in anhydrous DMF (200 mL).Protected with nitrogen and cooled to -10 ° C,Slowly add 60percent NaH (1.6 g, 40.09 mmol),After stirring at -10 ° C for 1 hour,2-Bromomethylnaphthalene (10.2 g, 46.26 mmol) was slowly added.After stirring for another 30 minutes,Add 60percent NaH (1.6g, 40.09mmol) as above.And 2-bromomethylnaphthalene (10.2 g, 46.26 mmol),Repeat twice, keep the temperature at -10 ° C and stir the reaction for 48 hours.The reaction mixture was poured into 500 mL of ice water to quench the reaction, and extracted with ethyl acetate (100 mL×4).The organic layer was washed with 200 mL of brine, dried over anhydrous sodium sulfateOn a silica column (10: 1, V / V, petroleum ether: EtOAc) to give a white oily product 3-1a (12.6g, 21.59mmol),Yield: 70percent.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;