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. 4152-90-3 ] {[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| 4152-90-3
Chemical Structure| 4152-90-3
Structure of 4152-90-3 * 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 [ 4152-90-3 ]

Related Doc. of [ 4152-90-3 ]

Alternatived Products of [ 4152-90-3 ]
Product Citations

Product Citations

Dube, Phelelisiwe S. ; Legoabe, Lesetja J. ; Jordaan, Audrey , et al. DOI: PubMed ID:

Abstract: Mycobacterium tuberculosis (Mtb) has an impermeable cell wall which gives it an inherent ability to resist many antibiotics. DprE1, an essential enzyme in Mtb cell wall synthesis, has been validated as a target for several TB drug candidates. The most potent and developmentally advanced DprE1 inhibitor, PBTZ169, is still undergoing clin. development. With high attrition rate, there is need to populate the development pipeline. Using a scaffold hopping strategy, we imprinted the benzenoid ring of PBTZ169 onto a quinolone nucleus. Twenty-two compounds were synthesized and screened for activity against Mtb, with six compounds exhibiting sub micromolar activity of MIC90 <0.244 μM. Compound 25 further demonstrated sub-micromolar activity when evaluated against wild-type and fluoroquinolone-resistant Mtb strains. This compound maintained its sub-micromolar activity against a DprE1 P116S mutant strain but showed a significant reduction in activity when tested against the DprE1 C387S mutant.

Keywords: DprE1 ; Quinolone ; Nitro compounds ; Mycobacterium tuberculosis ; Benzothiazinone

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

Product Details of [ 4152-90-3 ]

CAS No. :4152-90-3 MDL No. :MFCD00040752
Formula : C7H8ClN Boiling Point : No data available
Linear Structure Formula :- InChI Key :BJFPYGGTDAYECS-UHFFFAOYSA-N
M.W : 141.60 Pubchem ID :77802
Synonyms :

Calculated chemistry of [ 4152-90-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 39.13
TPSA : 26.02 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.97 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.87
Log Po/w (XLOGP3) : 1.68
Log Po/w (WLOGP) : 1.65
Log Po/w (MLOGP) : 2.14
Log Po/w (SILICOS-IT) : 2.1
Consensus Log Po/w : 1.89

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.2
Solubility : 0.886 mg/ml ; 0.00626 mol/l
Class : Soluble
Log S (Ali) : -1.84
Solubility : 2.04 mg/ml ; 0.0144 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.03
Solubility : 0.131 mg/ml ; 0.000927 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 4152-90-3 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405 UN#:2735
Hazard Statements:H314 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 4152-90-3 ]

* 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 [ 4152-90-3 ]

[ 4152-90-3 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 479691-42-4 ]
  • [ 4152-90-3 ]
  • [ 479691-64-0 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In ethanol; hexane; ethyl acetate; Example 4 Preparation of Intermediate 4-[4-(3-Chloro-benzylamino)-pyrimidin-2-yl]-piperazine-1-carboxylic Acid Tert-Butyl Ester (I-4a): A mixture of <strong>[479691-42-4]4-(4-chloro-pyrimidin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester</strong> I-2a (100 mg, 0.33 mmol), 3-chlorobenzylamine (0.65 mL, 5.3 mmol) and potassium carbonate (71 mg, 0.67 mmol) in ethanol (5 mL) was heated at reflux for 24 h. The reaction mixture was cooled to room temperature, poured into H2O (15 mL) and extracted with EtOAc (2*18 mL). The combined organic extracts were washed with H2O (2*10 mL), brine, dried (Na2SO4) and concentrated in vacuo. The residue was purified by chromatography using 40% EtOAc in hexane as an eluding solvent to afford the title compound I-4a (93 mg) as a colorless oil. 1H NMR (400 MHz, CD3OD) delta 7.69 (d, 1H); 7.32 (s, 1H); 7.28-7.19 (m, 3H); 5.88 (d, 1H); 4.49 (s, 2H); 3.64-3.61 (m, 4H); 3.37-3.29 (m, 4H); 1.45 (s, 9H). MS (ES+) Calc: 403.2, Found: 404.0 (M+1).
  • 2
  • [ 4152-90-3 ]
  • [ 231958-04-6 ]
  • [ 1387641-84-0 ]
YieldReaction ConditionsOperation in experiment
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20℃; for 1h;Inert atmosphere; To a stirred solution of <strong>[231958-04-6]3-tert-butoxycarbonylamino-4-methyl-benzoic acid</strong> (0.160 g, 0.64 mmol) in dichloromethane (5 mL) were added 1-hydroxybenzotriazole (0.172 g, 1.27 mmol) (Aldrich), N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride (0.244 g, 1.27 mmol) (Aldrich), triethyl amine (0.17 mL, 1.91 mmol) (Aldrich) and 3-chloro-benzylamine (0.07 mL, 1.00 mmol) (Aldrich) sequentially at room temperature under nitrogen and the resulting mixture was stirred for 1 hour (monitored by silica TLC; ethyl acetate-hexanes, 1:1). Solvent was distilled off under reduced pressure; obtained crude material was diluted with ice-water (10 mL) and was extracted with dichloromethane (3*25 mL). Collected organic parts were dried over anhydrous sodium sulfate, filtered, and concentrated under reduced pressure to give crude [5-(3-chloro-benzyl-carbamoyl)-2-methyl-phenyl]carbamic acid tert-butyl ester as off white solid, which was used for the next step reaction without further purification. (Yield 0.223 g, 93%).
  • 3
  • [ 479691-42-4 ]
  • [ 4152-90-3 ]
  • (3-chloro-benzyl)-(2-piperazin-1-yl-pyrimidin-4-yl)-amine, hydrochloride [ No CAS ]
  • 4
  • [ 4152-90-3 ]
  • [ 53554-29-3 ]
  • ethyl 2-((3-chlorobenzyl)amino)-4-hydroxypyrimidine-5-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
91.3% In ethanol; for 24h;Reflux; Sealed tube; General procedure: To a Radley reaction carousel tube, add 1 equivalent 1, 1.1 equivalents of the amine, a stir bar, and 5 mL 95% ethanol. Reflux while stirring for 24 hours. After cooling to room temperature the resulting precipitate was collected by vacuum filtration, washing with 10 mL deionized water and 5 mL chloroform.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 4152-90-3 ]

Aryls

Chemical Structure| 39989-43-0

[ 39989-43-0 ]

3,5-Dichlorobenzylamine

Similarity: 0.97

Chemical Structure| 104-86-9

[ 104-86-9 ]

(4-Chlorophenyl)methanamine

Similarity: 0.97

Chemical Structure| 102-49-8

[ 102-49-8 ]

3,4-Dichlorobenzylamine

Similarity: 0.94

Chemical Structure| 10541-69-2

[ 10541-69-2 ]

(2,5-Dichlorophenyl)methanamine

Similarity: 0.94

Chemical Structure| 39180-82-0

[ 39180-82-0 ]

N-(3-Chlorobenzyl)ethanamine

Similarity: 0.92

Chlorides

Chemical Structure| 39989-43-0

[ 39989-43-0 ]

3,5-Dichlorobenzylamine

Similarity: 0.97

Chemical Structure| 104-86-9

[ 104-86-9 ]

(4-Chlorophenyl)methanamine

Similarity: 0.97

Chemical Structure| 102-49-8

[ 102-49-8 ]

3,4-Dichlorobenzylamine

Similarity: 0.94

Chemical Structure| 10541-69-2

[ 10541-69-2 ]

(2,5-Dichlorophenyl)methanamine

Similarity: 0.94

Chemical Structure| 39180-82-0

[ 39180-82-0 ]

N-(3-Chlorobenzyl)ethanamine

Similarity: 0.92

Amines

Chemical Structure| 39989-43-0

[ 39989-43-0 ]

3,5-Dichlorobenzylamine

Similarity: 0.97

Chemical Structure| 104-86-9

[ 104-86-9 ]

(4-Chlorophenyl)methanamine

Similarity: 0.97

Chemical Structure| 102-49-8

[ 102-49-8 ]

3,4-Dichlorobenzylamine

Similarity: 0.94

Chemical Structure| 10541-69-2

[ 10541-69-2 ]

(2,5-Dichlorophenyl)methanamine

Similarity: 0.94

Chemical Structure| 39180-82-0

[ 39180-82-0 ]

N-(3-Chlorobenzyl)ethanamine

Similarity: 0.92

; ;