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. 57133-29-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 57133-29-6
Chemical Structure| 57133-29-6
Structure of 57133-29-6 * 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 [ 57133-29-6 ]

Related Doc. of [ 57133-29-6 ]

Alternatived Products of [ 57133-29-6 ]
Product Citations

Product Details of [ 57133-29-6 ]

CAS No. :57133-29-6 MDL No. :MFCD00151882
Formula : C15H28N2O6 Boiling Point : -
Linear Structure Formula :- InChI Key :RJOJSMIZZYHNQG-JTQLQIEISA-N
M.W : 332.39 Pubchem ID :7015803
Synonyms :

Calculated chemistry of [ 57133-29-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 23
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 12
Num. H-bond acceptors : 6.0
Num. H-bond donors : 3.0
Molar Refractivity : 85.02
TPSA : 113.96 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.92 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.29
Log Po/w (XLOGP3) : 1.98
Log Po/w (WLOGP) : 2.27
Log Po/w (MLOGP) : 1.21
Log Po/w (SILICOS-IT) : 0.92
Consensus Log Po/w : 1.73

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.36
Solubility : 1.46 mg/ml ; 0.0044 mol/l
Class : Soluble
Log S (Ali) : -4.0
Solubility : 0.0333 mg/ml ; 0.0001 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.39
Solubility : 1.35 mg/ml ; 0.00406 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.36

Safety of [ 57133-29-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 57133-29-6 ]

* 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 [ 57133-29-6 ]

[ 57133-29-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 57133-29-6 ]
  • [ 84605-18-5 ]
  • [ 1255152-12-5 ]
  • [ 1255151-91-7 ]
  • C60H102N4O15 [ No CAS ]
YieldReaction ConditionsOperation in experiment
8% Preparation of 15a, 15b, 15c: : (Boc)2-(L) Ornithine-OH (4.5 g, 13.6 mmols) (Bachem, Torrance, Calif.) was dissolved in 15 ml of DCM. To this was added 2.5 g (13.6 mmol) of pentafluorophenol. The reaction was cooled in an ice-bath followed by slow addition of 2.2 ml (13.6 mmols) of DIC. After complete addition the reaction mixture was stirred at room temperature for 30 minutes at which time the reaction mixture turned turbid (diisopropylcarbodimide-urea precipitation). To this mixture was then added 700 mg (1.43 mmols) of 2 followed by 1.6 g (13.6 mmol) of DMAP and the reaction was stirred at room temperature for 24 hours. The reaction mixture was transferred into a separatory funnel and washed with H2O (2×) 1% aq. HCl (2×), 0.1N aq. NaOH (2×), sat. NaHCO3 (3×), H2O (1×) and brine (1×), the organic layer was separated, dried over Na2SO4, filtered and the solvent was evaporated under vacuum. To the residue was then added 25 ml of diethylether and the urea was precipitated out. The filtrate was evaporated and the residue was purified using flash chromatography with solvent gradient of 2%-5% MeOH in DCM to furnish 690 mg (60%) of a mixture of products 15a, 15b, 15c, and 120 mg (8%) of the C3, C6 bis product.The 1HNMR showed major amounts of 15a and 15b products with 2% of the regioisomer 15c. 1HNMR of the mixture(15a, 15b and 15c): (CDCl3) delta ppm: 0.38 (1H, bs), 0.52 (1H, bs), 0.90-1.38 (m, 26H), 1.39-1.45 (s,m 27H), 1.59-1.63 (m, 5H), 1.76-1.82 (m, 2H), 1.96-2.01 (m, 4H), 2.16-2.20 (m, IH), 2.30-2.35 (d, 1H), 2.49-2.54 (q, 1H), 3.10-3.19 (m, 6H), 3.19-3.22 (m, 1H), 3.45-3.57 (t, 1H), 3.71-3.76 (m, 1H), 4.19-4.21 (m, 1H), 4.22-4.30 (m, 1H), 4.52-4.60 (m, 1H), 4.61-4.65 (m, 1H), 4.79-4.81 (m, 1H), 4.95-5.01 (m, 1H), 5.13-5.21 (m, 1H), 5.38-5.41 (m, 1H). MS (M+H) 804
  • 2
  • [ 57133-29-6 ]
  • [ 84605-18-5 ]
  • 2-(L),5-diamino-pentanoic acid 3β,16β-dihydroxy-17-[5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydro-furan-2-yl]-4,4,13,14-tetramethyl-tetradecahdro-cyclopropa[9,10]cyclopenta[a]phenanthren-6α-yl ester dihydrochloride [ No CAS ]
  • 2-(L),5-diamino-pentanoic acid 6α,16β-dihydroxy-17-[5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydro-furan-2-yl]-4,4,13,14-tetramethyl-tetradecahydro-cyclopropa[9,10]cyclopenta[a]phenanthren-3β-yl ester dihydrochloride [ No CAS ]
YieldReaction ConditionsOperation in experiment
Preparation of 15a, 15b, 15c: : (Boc)2-(L) Ornithine-OH (4.5 g, 13.6 mmols) (Bachem, Torrance, Calif.) was dissolved in 15 ml of DCM. To this was added 2.5 g (13.6 mmol) of pentafluorophenol. The reaction was cooled in an ice-bath followed by slow addition of 2.2 ml (13.6 mmols) of DIC. After complete addition the reaction mixture was stirred at room temperature for 30 minutes at which time the reaction mixture turned turbid (diisopropylcarbodimide-urea precipitation). To this mixture was then added 700 mg (1.43 mmols) of 2 followed by 1.6 g (13.6 mmol) of DMAP and the reaction was stirred at room temperature for 24 hours. The reaction mixture was transferred into a separatory funnel and washed with H2O (2×) 1% aq. HCl (2×), 0.1N aq. NaOH (2×), sat. NaHCO3 (3×), H2O (1×) and brine (1×), the organic layer was separated, dried over Na2SO4, filtered and the solvent was evaporated under vacuum. To the residue was then added 25 ml of diethylether and the urea was precipitated out. The filtrate was evaporated and the residue was purified using flash chromatography with solvent gradient of 2%-5% MeOH in DCM to furnish 690 mg (60%) of a mixture of products 15a, 15b, 15c, and 120 mg (8%) of the C3, C6 bis product.The 1HNMR showed major amounts of 15a and 15b products with 2% of the regioisomer 15c. 1HNMR of the mixture(15a, 15b and 15c): (CDCl3) delta ppm: 0.38 (1H, bs), 0.52 (1H, bs), 0.90-1.38 (m, 26H), 1.39-1.45 (s,m 27H), 1.59-1.63 (m, 5H), 1.76-1.82 (m, 2H), 1.96-2.01 (m, 4H), 2.16-2.20 (m, IH), 2.30-2.35 (d, 1H), 2.49-2.54 (q, 1H), 3.10-3.19 (m, 6H), 3.19-3.22 (m, 1H), 3.45-3.57 (t, 1H), 3.71-3.76 (m, 1H), 4.19-4.21 (m, 1H), 4.22-4.30 (m, 1H), 4.52-4.60 (m, 1H), 4.61-4.65 (m, 1H), 4.79-4.81 (m, 1H), 4.95-5.01 (m, 1H), 5.13-5.21 (m, 1H), 5.38-5.41 (m, 1H). MS (M+H) 804 Preparation of 16a, 16b, 16c To a 200 mg (0.25 mmol) of the mixture of 15a, 15b, 15c, was added 10 ml of 1.0M HCl/diethylether and strirred for 16 hrs. The white solids were filtered and washed with 10 ml of Et2O (4×). The solids were then dried under high vacuum for overnight to yield 160 mg (95%) of the target products 16a, 16b, 16c, as a white powder. The 1HNMR showed major amounts of 16a and 16b products with 2% of the C-16 (16c) regioisomer.1HNMR of the mixture (16a, 16b and 16c): (D2O) delta ppm: 0.26 (1H, bs), 0.52 (1H, bs), 0.90-1.18 (m, 26H), 1.49-1.74 (m, 5H), 1.83-2.10 (m, 2H), 2.20-2.31 (m, 4H), 2.81-2.92 (m, 2H), 3.19-3.20 (m, 1H), 3.39-3.42 (m, 1H), 3.62-3.71 (m, 1H), 3.88-4.00 (m, 1H), 4.08-4.12 (m, 1H), 4.52-4.57 (m, 1H), 4.61-4.65 (m, 1H), 4.79-4.81 (m, 1H). MS (M+H): 605.
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 57133-29-6 ]

Amino Acid Derivatives

Chemical Structure| 57521-85-4

[ 57521-85-4 ]

(R)-2-((tert-Butoxycarbonyl)amino)pentanoic acid

Similarity: 1.00

Chemical Structure| 2419-94-5

[ 2419-94-5 ]

Boc-Glu-OH

Similarity: 1.00

Chemical Structure| 6404-28-0

[ 6404-28-0 ]

Boc-Nle-OH

Similarity: 1.00

Chemical Structure| 65360-27-2

[ 65360-27-2 ]

Boc-D-Lys(Boc)-OH

Similarity: 1.00

Chemical Structure| 21887-64-9

[ 21887-64-9 ]

Boc-Orn-OH

Similarity: 1.00

; ;