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. 64-73-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 64-73-3
Chemical Structure| 64-73-3
Structure of 64-73-3 * 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 [ 64-73-3 ]

Related Doc. of [ 64-73-3 ]

Alternatived Products of [ 64-73-3 ]
Product Citations

Product Details of [ 64-73-3 ]

CAS No. :64-73-3 MDL No. :MFCD00082371
Formula : C21H22Cl2N2O8 Boiling Point : -
Linear Structure Formula :- InChI Key :OAPVUSSHCBRCOL-KBHRXELFSA-N
M.W : 501.31 Pubchem ID :54686764
Synonyms :
Demeclocycline (hydrochloride);Demethyltetracycline;Demethylchlortetracycline;Demeclocycline HCl
Chemical Name :(4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride

Calculated chemistry of [ 64-73-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 33
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.38
Num. rotatable bonds : 2
Num. H-bond acceptors : 9.0
Num. H-bond donors : 6.0
Molar Refractivity : 117.5
TPSA : 181.62 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -9.19 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.24
Log Po/w (WLOGP) : 0.74
Log Po/w (MLOGP) : -1.6
Log Po/w (SILICOS-IT) : -0.45
Consensus Log Po/w : -0.21

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.11

Water Solubility

Log S (ESOL) : -3.1
Solubility : 0.396 mg/ml ; 0.000791 mol/l
Class : Soluble
Log S (Ali) : -3.61
Solubility : 0.122 mg/ml ; 0.000243 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.81
Solubility : 7.73 mg/ml ; 0.0154 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 5.0

Safety of [ 64-73-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280 UN#:N/A
Hazard Statements:H317-H351-H361 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 64-73-3 ]

* 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 [ 64-73-3 ]

[ 64-73-3 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 64-73-3 ]
  • 4S-(4a,12aα)-12-amino-7-chloro-4-dimethylamino-3,6,10,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide [ No CAS ]
YieldReaction ConditionsOperation in experiment
4S- (4a, 12aa)]-12-Amino-7-chloro-4-dimethylamino-3, 6, 10, 12a-tetrahydroxy-1, 11- dioxo-1, 4,4a, 5,5a, 6, 11, 12a-octahydro-naphthacene-2-carboxylic acid amide.; Anhydrous ammonia was bubbled into a stirred suspension of <strong>[64-73-3]<strong>[64-73-3]demeclocycline</strong> hydrochloride</strong> (0.400 g, 0.80 mmol) in absolute ethanol (130 mL) under reflux for 7 h. Stirring continued at room temperature overnight, then the reaction mixture was brought to pH 7 with diluted acetic acid, and filtered. The solvents in the filtrate were partially removed under reduced pressure, then the remaining solution was freeze-dried. After a primary purification by column chromatography (silica gel, dichloromethane-ethanol), the residue was separated by HPLC (C18-reverse phase VydaCTM column, 50 x 250 mm, by applying a binary gradient of 0. 1% TFA in water (phase A) and 0. 1% TFA in acetonitrile (phase B) on a gradient from 20% phase B to 30% phase B in 100 min at a flow rate of 15 mL/min). After neutralizing with NaHCO3, the collected fractions were freeze-dried, and the tetracycline derivative as a free base was separated from the water- soluble salts using PrepSepT""-C18 disposable extraction columns. Rt (method A) = 5.9 min. ESI-MS m/z (M + H) 463. 9. nu NMR (CD30D) 5 1.62-1. 64 (m, 1 H), 1.85- 1.88 (m, 1 H), 2.26 (s, 6H), 2.45-2. 47 (m, 1 H), 2.67-2. 74 (m, 2H), 4.59 (s, 1 H), 6.62-6. 64 (m, 2H), 7.18-7. 20 (m, 2H).
  • 2
  • [ 64-73-3 ]
  • (4S,4aS,12aS)-7-chloro-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide monohydrochloride [ No CAS ]
YieldReaction ConditionsOperation in experiment
77% With hydrogenchloride; In methanol; at 60 - 70℃; for 3.0h;Inert atmosphere; To a clean, dry round bottom flask, equipped with stirbar and reflux condenser, was added <strong>[64-73-3]<strong>[64-73-3]demeclocycline</strong> hydrochloride</strong> (50 mg, 0.10 mmol) and 6 N HCl in methanol (5 mL) under argon atmosphere. The reaction was heated to 70 C. and allowed to stir at 60 C. for 3 hours (monitored by LCMS). When the reaction was complete, the reaction was concentrated under reduced pressure and purified by preparative HPLC (Si-C18 reverse phase column, gradient of CH3CN/H2O with 0.1% formic acid, tR=15 minutes) to provide (4S,4aS,12aS)-7-chloro-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide, which was reconstituted as the hydrochloride salt to provide the title compound as a light orange solid (37 mg, 0.077 mmol, 77% yield).
  • 3
  • [ 64-73-3 ]
  • [ 113164-67-3 ]
Recommend Products
Same Skeleton Products
Historical Records
; ;